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

C20H17N5O — CID 109356788

IUPACN-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccc(C#N)cc3)ncn2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-3-8-17(14(2)9-13)25-19-10-18(22-12-23-19)20(26)24-16-6-4-15(11-21)5-7-16/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeySXCVIXXCZLBRTB-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

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

N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109356788) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109356788
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccc(C#N)cc3)ncn2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-3-8-17(14(2)9-13)25-19-10-18(22-12-23-19)20(26)24-16-6-4-15(11-21)5-7-16/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeySXCVIXXCZLBRTB-UHFFFAOYSA-N
XLogP3.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356770
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
methyl 2-[[6-[(4-cyanophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359485
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide (CID 109356788) is N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccc(C#N)cc3)ncn2)c(C)c1.
What is the InChIKey of N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is SXCVIXXCZLBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-3-8-17(14(2)9-13)25-19-10-18(22-12-23-19)20(26)24-16-6-4-15(11-21)5-7-16/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).