2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C21H22N4O2 — CID 109304398

IUPAC2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nccc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C21H22N4O2/c1-14-5-4-6-16(11-14)13-23-20(26)17-9-10-22-21(24-17)25-18-12-15(2)7-8-19(18)27-3/h4-12H,13H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyWJELRUOKNICCBB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304398) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304398
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nccc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C21H22N4O2/c1-14-5-4-6-16(11-14)13-23-20(26)17-9-10-22-21(24-17)25-18-12-15(2)7-8-19(18)27-3/h4-12H,13H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyWJELRUOKNICCBB-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304412
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304398) is 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1nccc(C(=O)NCc2cccc(C)c2)n1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is WJELRUOKNICCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-5-4-6-16(11-14)13-23-20(26)17-9-10-22-21(24-17)25-18-12-15(2)7-8-19(18)27-3/h4-12H,13H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).