2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

C18H15FN4O — CID 109265542

IUPAC2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)c1
InChIInChI=1S/C18H15FN4O/c1-12-4-2-6-15(8-12)22-17(24)13-10-20-18(21-11-13)23-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyGNFHUKJCYYFTIL-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

About 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265542) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265542
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)c1
InChIInChI=1S/C18H15FN4O/c1-12-4-2-6-15(8-12)22-17(24)13-10-20-18(21-11-13)23-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyGNFHUKJCYYFTIL-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-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109270413

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109265542) is 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is GNFHUKJCYYFTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-4-2-6-15(8-12)22-17(24)13-10-20-18(21-11-13)23-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-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-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).