CAS
94442-07-6 Purity
96%
94442-07-6 Purity
96%
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Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CAS
94442-14-5
Catalog Number
ACM94442145
Category
Other Products
Molecular Weight
277.275900 [g/mol]
Molecular Formula
C13H15N3O4
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Specification
Synonyms
EINECS 305-340-6, Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido(2,3-d)pyrimidine-6-carboxylate, 94442-14-5
IUPAC Name
methyl 2-ethoxy-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
Canonical SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)OCC)C(=O)OC
InChI Key
VHRBIIJTOIRWRO-UHFFFAOYSA-N
Boiling Point
424.3ºC at 760mmHg
Flash Point
210.4ºC
Density
1.276g/cm³
EC Number
305-340-6
Exact Mass
277.10600
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The molecular formula is C13H15N3O4.
When was Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate created and modified in PubChem?
It was created on December 10, 2008, and last modified on December 30, 2023.
What is the computed IUPAC name for Methyl 2-ethoxy-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The computed IUPAC name is methyl 2-ethoxy-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate.
What is the calculated XLogP3 value of Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The XLogP3 value is 0.8.
How many hydrogen bond acceptors are there in Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
There are 7 hydrogen bond acceptors.
What is the topological polar surface area of Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The topological polar surface area is 81.6 Ų.
How many heavy atoms are present in Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
There are 20 heavy atoms.
Is Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate considered as a canonical compound?
Yes, it is considered canonical.
What is the InChIKey of Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VHRBIIJTOIRWRO-UHFFFAOYSA-N.
How was the monoisotopic mass of Methyl 2-ethoxy-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate calculated?
It was computed by PubChem and the value is 277.10625597 g/mol.
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