CAS
914347-40-3 Purity
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914347-40-3 Purity
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2-Pyrimidinamine,5-bromo-4-(dimethoxymethyl)-
CAS
914347-52-7
Catalog Number
ACM914347527
Category
Other Products
Molecular Weight
248.08
Molecular Formula
C7H10BrN3O2
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Specification
Synonyms
2-AMINO-5-BROMO-4-DIMETHOXYMETHYLPYRIMIDINE
IUPAC Name
5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine
Canonical SMILES
COC(C1=NC(=NC=C1Br)N)OC
InChI Key
FOWBNVGRPWZIPG-UHFFFAOYSA-N
Boiling Point
354.8ºC at 760 mmHg
Flash Point
168.4ºC
Density
1.578g/cm³
Exact Mass
246.99600
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 2-Pyrimidinamine, 5-bromo-4-(dimethoxymethyl)?
The molecular formula is C7H10BrN3O2.
When was this compound created and last modified?
It was created on 2010-03-29 and last modified on 2023-12-30.
What is the IUPAC name of 2-Pyrimidinamine, 5-bromo-4-(dimethoxymethyl)?
The IUPAC name is 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine.
What is the Canonical SMILES for this compound?
The Canonical SMILES is COC(C1=NC(=NC=C1Br)N)OC.
What is the InChIKey for this compound?
The InChIKey is FOWBNVGRPWZIPG-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in this compound?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of this compound?
The topological polar surface area is 70.3?2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of 2-Pyrimidinamine, 5-bromo-4-(dimethoxymethyl)?
The molecular weight is 248.08 g/mol.
How many rotatable bond counts are there in this compound?
There are 3 rotatable bond counts.
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![(1-Benzo[1,3]dioxol-5-ylmethylpiperidin-4-yl)methanol](https://resource.alfa-chemistry.com/structure/914347-60-7.gif)
