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

C18H15FN4O — CID 109334548

IUPAC2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H15FN4O/c1-12-11-16(17(24)22-15-10-6-5-9-14(15)19)23-18(20-12)21-13-7-3-2-4-8-13/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyCBDALLKVZVEDJQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

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

2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334548) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109334548
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H15FN4O/c1-12-11-16(17(24)22-15-10-6-5-9-14(15)19)23-18(20-12)21-13-7-3-2-4-8-13/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyCBDALLKVZVEDJQ-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
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
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336679
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
methyl 2-[[2-(4-fluoroanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109336865

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109334548) is 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2F)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CBDALLKVZVEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-11-16(17(24)22-15-10-6-5-9-14(15)19)23-18(20-12)21-13-7-3-2-4-8-13/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).