N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide

C19H17FN4O — CID 109266885

IUPACN-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)c1
InChIInChI=1S/C19H17FN4O/c1-12-6-13(2)8-17(7-12)23-18(25)14-10-21-19(22-11-14)24-16-5-3-4-15(20)9-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeySLTWVJRWLSAVEA-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.23
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide

N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109266885) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109266885
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)c1
InChIInChI=1S/C19H17FN4O/c1-12-6-13(2)8-17(7-12)23-18(25)14-10-21-19(22-11-14)24-16-5-3-4-15(20)9-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeySLTWVJRWLSAVEA-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109270413
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide (CID 109266885) is N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is SLTWVJRWLSAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-6-13(2)8-17(7-12)23-18(25)14-10-21-19(22-11-14)24-16-5-3-4-15(20)9-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide?
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).