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

C19H19N5O — CID 109371117

IUPAC2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C19H19N5O/c1-13-6-3-4-8-16(13)24-18-10-17(22-14(2)23-18)19(25)21-12-15-7-5-9-20-11-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyMBZBGCYQEVPOJZ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.16
Rot. Bonds5

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

2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109371117) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109371117
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C19H19N5O/c1-13-6-3-4-8-16(13)24-18-10-17(22-14(2)23-18)19(25)21-12-15-7-5-9-20-11-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyMBZBGCYQEVPOJZ-UHFFFAOYSA-N
XLogP3.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371141
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
6-(5-chloro-2-methoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371152
methyl 4-[[2-methyl-6-(pyridin-3-ylmethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109371174
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
6-(2,3-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109371117) is 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C)cc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is MBZBGCYQEVPOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-6-3-4-8-16(13)24-18-10-17(22-14(2)23-18)19(25)21-12-15-7-5-9-20-11-15/h3-11H,12H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).