N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide

C20H19N5O2 — CID 109265432

IUPACN-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccccc3C)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-13-5-3-4-6-18(13)25-20-21-11-15(12-22-20)19(27)24-17-9-7-16(8-10-17)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyPOAQCPVCIYKOQT-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.74
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109265432) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
PubChem CID109265432
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccccc3C)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-13-5-3-4-6-18(13)25-20-21-11-15(12-22-20)19(27)24-17-9-7-16(8-10-17)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyPOAQCPVCIYKOQT-UHFFFAOYSA-N
XLogP3.74
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109265440
N-(3-chloro-4-fluorophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265409
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247741
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide (CID 109265432) is N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccccc3C)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is POAQCPVCIYKOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-5-3-4-6-18(13)25-20-21-11-15(12-22-20)19(27)24-17-9-7-16(8-10-17)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,27)(H,21,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).