2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

C18H15FN4O — CID 109314152

IUPAC2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-5-7-14(8-6-12)21-17(24)16-9-10-20-18(23-16)22-15-4-2-3-13(19)11-15/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyHEIBQWHEVBPNQV-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

About 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314152) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109314152
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-5-7-14(8-6-12)21-17(24)16-9-10-20-18(23-16)22-15-4-2-3-13(19)11-15/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyHEIBQWHEVBPNQV-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-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
N-(2,6-dichlorophenyl)-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109318480
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316170
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145
2-(3-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316131

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109314152) is 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HEIBQWHEVBPNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-5-7-14(8-6-12)21-17(24)16-9-10-20-18(23-16)22-15-4-2-3-13(19)11-15/h2-11H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-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-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).