CAS
915920-53-5 Purity
96%
915920-53-5 Purity
96%
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5-Ethyl-4-methyl-6-(1-piperidinyl)-2-pyrimidinamine
CAS
915920-63-7
Catalog Number
ACM915920637
Category
Other Products
Molecular Weight
220.314000 [g/mol]
Molecular Formula
C12H20N4
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Specification
Synonyms
Ambcb6070785, CTK5G9923, MolPort-016-631-697, ZINC19093862, AG-H-75942, 5-ETHYL-4-METHYL-6-(1-PIPERIDINYL)-2-PYRIMIDINAMINE, 915920-63-7
IUPAC Name
5-ethyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
Canonical SMILES
CCC1=C(N=C(N=C1N2CCCCC2)N)C
InChI Key
BCRJXMWWKWVHHM-UHFFFAOYSA-N
Boiling Point
439.6ºC at 760 mmHg
Flash Point
219.7ºC
Density
1.104g/cm³
Exact Mass
220.16900
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 28065409?
The molecular formula is C12H20N4.
What is the molecular weight of the compound?
The molecular weight is 220.31 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is 5-ethyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCC1=C(N=C(N=C1N2CCCCC2)N)C.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.4.
What is the topological polar surface area of the compound?
The topological polar surface area is 55 Ų.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is BCRJXMWWKWVHHM-UHFFFAOYSA-N.
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