2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C21H20N6O — CID 505470

IUPAC2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(N)=O)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChIInChI=1S/C21H20N6O/c1-12-8-13(2)19(14(3)9-12)26-18-10-17(20(23)28)25-21(27-18)24-16-6-4-15(11-22)5-7-16/h4-10H,1-3H3,(H2,23,28)(H2,24,25,26,27)
InChIKeyWKKHLVSETHNCAY-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 505470) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID505470
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(N)=O)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChIInChI=1S/C21H20N6O/c1-12-8-13(2)19(14(3)9-12)26-18-10-17(20(23)28)25-21(27-18)24-16-6-4-15(11-22)5-7-16/h4-10H,1-3H3,(H2,23,28)(H2,24,25,26,27)
InChIKeyWKKHLVSETHNCAY-UHFFFAOYSA-N
XLogP3.86
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

TC-Mps1-12
CID 70682875
4-[[4-amino-6-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
CID 164612436
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921
N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 147722603
2-Aminoquinazoline-4-carboxy-(4-methylphenyl)amide
CID 24749594
6-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 151371495
N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide
CID 25182918
6-[(cyclopropylmethyl)(propyl)amino]-N-{4-[(dimethylamino)methyl]-2-methylphenyl}pyrimidine-4-carboxamide
CID 25183063
6-[(cyclopropylmethyl)(propyl)amino]-N-{2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl}pyrimidine-4-carboxamide
CID 25183066
N-[4-(azetidin-1-ylmethyl)-2-methylphenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide
CID 59446911
6-[(cyclopropylmethyl)(propyl)amino]-N-{2-methyl-4-[(methylamino)methyl]phenyl}pyrimidine-4-carboxamide
CID 59446977
4-Methyl-N-[4-methyl-2,6-DI(4-toluidino)-5-pyrimidinyl]benzamide
CID 15990190

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 505470) is 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2cc(C(N)=O)nc(Nc3ccc(C#N)cc3)n2)c(C)c1.
What is the InChIKey of 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is WKKHLVSETHNCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-12-8-13(2)19(14(3)9-12)26-18-10-17(20(23)28)25-21(27-18)24-16-6-4-15(11-22)5-7-16/h4-10H,1-3H3,(H2,23,28)(H2,24,25,26,27).
What are the key properties of 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 505470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).