2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C20H17FN4O2 — CID 109336804

IUPAC2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C20H17FN4O2/c1-12-11-18(19(27)24-17-6-4-3-5-16(17)21)25-20(22-12)23-15-9-7-14(8-10-15)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyQCHSDYQKZDSYLR-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336804) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336804
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C20H17FN4O2/c1-12-11-18(19(27)24-17-6-4-3-5-16(17)21)25-20(22-12)23-15-9-7-14(8-10-15)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyQCHSDYQKZDSYLR-UHFFFAOYSA-N
XLogP4.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
2-(2,6-dichloroanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336824
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337194

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109336804) is 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3F)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is QCHSDYQKZDSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-12-11-18(19(27)24-17-6-4-3-5-16(17)21)25-20(22-12)23-15-9-7-14(8-10-15)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).