N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

C19H17FN4O — CID 109266385

IUPACN-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3F)nc2)c(C)c1
InChIInChI=1S/C19H17FN4O/c1-12-7-8-16(13(2)9-12)23-18(25)14-10-21-19(22-11-14)24-17-6-4-3-5-15(17)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyKBNREBNVDSVTLJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.23
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109266385) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109266385
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3F)nc2)c(C)c1
InChIInChI=1S/C19H17FN4O/c1-12-7-8-16(13(2)9-12)23-18(25)14-10-21-19(22-11-14)24-17-6-4-3-5-15(17)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyKBNREBNVDSVTLJ-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

N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
4-N-(2,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091713

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (CID 109266385) is N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3F)nc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is KBNREBNVDSVTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-7-8-16(13(2)9-12)23-18(25)14-10-21-19(22-11-14)24-17-6-4-3-5-15(17)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
N-(2,4-dimethylphenyl)-2-(2-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-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).