N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide

C19H16F2N4O — CID 109266816

IUPACN-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3F)cn2)cc1C
InChIInChI=1S/C19H16F2N4O/c1-11-3-5-15(7-12(11)2)24-19-22-9-13(10-23-19)18(26)25-17-6-4-14(20)8-16(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyDFFZUSLMKPQJSI-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide

N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109266816) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109266816
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3F)cn2)cc1C
InChIInChI=1S/C19H16F2N4O/c1-11-3-5-15(7-12(11)2)24-19-22-9-13(10-23-19)18(26)25-17-6-4-14(20)8-16(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyDFFZUSLMKPQJSI-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109269252
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
methyl 3-[[5-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270233
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247233
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
N-(4-tert-butylphenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266770
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide (CID 109266816) is N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)Nc3ccc(F)cc3F)cn2)cc1C.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is DFFZUSLMKPQJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-3-5-15(7-12(11)2)24-19-22-9-13(10-23-19)18(26)25-17-6-4-14(20)8-16(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide?
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).