2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

C21H20N4O2 — CID 109334854

IUPAC2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-6-4-5-7-18(13)24-20(27)19-12-14(2)22-21(25-19)23-17-10-8-16(9-11-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyFDQYTKRAYVDPHU-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109334854) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109334854
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-6-4-5-7-18(13)24-20(27)19-12-14(2)22-21(25-19)23-17-10-8-16(9-11-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyFDQYTKRAYVDPHU-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336478
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337194
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689152
2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109334854) is 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is FDQYTKRAYVDPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-6-4-5-7-18(13)24-20(27)19-12-14(2)22-21(25-19)23-17-10-8-16(9-11-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).