N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide

C21H20N4O2 — CID 109356770

IUPACN-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccc(C)cc3C)ncn2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-4-9-18(14(2)10-13)25-20-11-19(22-12-23-20)21(27)24-17-7-5-16(6-8-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyRRGKYRSOAHNDRM-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.29
Rot. Bonds5

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

N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109356770) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109356770
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccc(C)cc3C)ncn2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-4-9-18(14(2)10-13)25-20-11-19(22-12-23-20)21(27)24-17-7-5-16(6-8-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyRRGKYRSOAHNDRM-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357824
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359404
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide (CID 109356770) is N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Nc3ccc(C)cc3C)ncn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is RRGKYRSOAHNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-4-9-18(14(2)10-13)25-20-11-19(22-12-23-20)21(27)24-17-7-5-16(6-8-17)15(3)26/h4-12H,1-3H3,(H,24,27)(H,22,23,25).
What are the key properties of N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).