2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C21H23N5O — CID 109371012

IUPAC2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2cccnc2)cc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C21H23N5O/c1-14(2)17-6-8-18(9-7-17)26-21(27)19-11-20(25-15(3)24-19)23-13-16-5-4-10-22-12-16/h4-12,14H,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyUMIHUFLREOBVGL-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.17
Rot. Bonds6

About 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371012) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371012
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2cccnc2)cc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C21H23N5O/c1-14(2)17-6-8-18(9-7-17)26-21(27)19-11-20(25-15(3)24-19)23-13-16-5-4-10-22-12-16/h4-12,14H,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyUMIHUFLREOBVGL-UHFFFAOYSA-N
XLogP4.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371042
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371046
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109369598
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
N-(4-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329932
6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109371012) is 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCc2cccnc2)cc(C(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is UMIHUFLREOBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(2)17-6-8-18(9-7-17)26-21(27)19-11-20(25-15(3)24-19)23-13-16-5-4-10-22-12-16/h4-12,14H,13H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).