N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide

C19H16F2N4O — CID 109356791

IUPACN-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)c(C)c1
InChIInChI=1S/C19H16F2N4O/c1-11-3-6-16(12(2)7-11)25-18-9-17(22-10-23-18)19(26)24-13-4-5-14(20)15(21)8-13/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyDGXMJZHUKVHTTP-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109356791) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109356791
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)c(C)c1
InChIInChI=1S/C19H16F2N4O/c1-11-3-6-16(12(2)7-11)25-18-9-17(22-10-23-18)19(26)24-13-4-5-14(20)15(21)8-13/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyDGXMJZHUKVHTTP-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-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109356120
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176615
N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356770
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide (CID 109356791) is N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)c(C)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is DGXMJZHUKVHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-3-6-16(12(2)7-11)25-18-9-17(22-10-23-18)19(26)24-13-4-5-14(20)15(21)8-13/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-6-(2,4-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-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).