N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109336145

IUPACN-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C22H24N4O2/c1-13-9-10-20(28-5)18(11-13)25-22-23-15(3)12-19(26-22)21(27)24-17-8-6-7-14(2)16(17)4/h6-12H,1-5H3,(H,24,27)(H,23,25,26)
InChIKeyULFOAOWZEAOTND-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.71
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336145) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336145
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C22H24N4O2/c1-13-9-10-20(28-5)18(11-13)25-22-23-15(3)12-19(26-22)21(27)24-17-8-6-7-14(2)16(17)4/h6-12H,1-5H3,(H,24,27)(H,23,25,26)
InChIKeyULFOAOWZEAOTND-UHFFFAOYSA-N
XLogP4.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336476
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335722
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336145) is N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1nc(C)cc(C(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ULFOAOWZEAOTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-9-10-20(28-5)18(11-13)25-22-23-15(3)12-19(26-22)21(27)24-17-8-6-7-14(2)16(17)4/h6-12H,1-5H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).