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

C19H16F2N4O — CID 109315022

IUPACN-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccc(F)cc3F)n2)cc1C
InChIInChI=1S/C19H16F2N4O/c1-11-3-5-14(9-12(11)2)23-19-22-8-7-17(25-19)18(26)24-16-6-4-13(20)10-15(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPSIIYYDPSKAFSO-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315022) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109315022
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccc(F)cc3F)n2)cc1C
InChIInChI=1S/C19H16F2N4O/c1-11-3-5-14(9-12(11)2)23-19-22-8-7-17(25-19)18(26)24-16-6-4-13(20)10-15(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPSIIYYDPSKAFSO-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

N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266816
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
2-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
2-(3,4-difluoroanilino)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338103

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide (CID 109315022) is N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3ccc(F)cc3F)n2)cc1C.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is PSIIYYDPSKAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-3-5-14(9-12(11)2)23-19-22-8-7-17(25-19)18(26)24-16-6-4-13(20)10-15(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 109315022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).