5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C17H21ClN4 — CID 25212176

IUPAC5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCC2CCCCC2)c1Cl
InChIInChI=1S/C17H21ClN4/c1-12-15(18)17(20-11-13-7-3-2-4-8-13)22-16(21-12)14-9-5-6-10-19-14/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,20,21,22)
InChIKeyBAMKRHZHWDSQHF-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.49
Rot. Bonds4

About 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 25212176) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID25212176
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCC2CCCCC2)c1Cl
InChIInChI=1S/C17H21ClN4/c1-12-15(18)17(20-11-13-7-3-2-4-8-13)22-16(21-12)14-9-5-6-10-19-14/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,20,21,22)
InChIKeyBAMKRHZHWDSQHF-UHFFFAOYSA-N
XLogP4.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 25212176) is 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is BAMKRHZHWDSQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-15(18)17(20-11-13-7-3-2-4-8-13)22-16(21-12)14-9-5-6-10-19-14/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,20,21,22).
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 25212176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).