2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C15H19N5O — CID 109360410

IUPAC2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C15H19N5O/c1-10(2)18-14-7-13(19-11(3)20-14)15(21)17-9-12-5-4-6-16-8-12/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyWFJGJQGVSPVMJH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.93
Rot. Bonds5

About 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109360410) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109360410
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C15H19N5O/c1-10(2)18-14-7-13(19-11(3)20-14)15(21)17-9-12-5-4-6-16-8-12/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyWFJGJQGVSPVMJH-UHFFFAOYSA-N
XLogP1.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371141
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404
methyl 4-[[2-methyl-6-(pyridin-3-ylmethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109371174
6-(5-chloro-2-methylanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371146
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-(5-chloro-2-methoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371152
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109360410) is 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(NC(C)C)cc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WFJGJQGVSPVMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(2)18-14-7-13(19-11(3)20-14)15(21)17-9-12-5-4-6-16-8-12/h4-8,10H,9H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).