6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

C20H16ClN5O — CID 112850278

IUPAC6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2C)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C20H16ClN5O/c1-12-9-15(21)5-8-17(12)26-19-10-18(23-13(2)24-19)20(27)25-16-6-3-14(11-22)4-7-16/h3-10H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyKBLIECQHDVGFIF-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.61
Rot. Bonds4

About 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850278) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850278
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2C)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C20H16ClN5O/c1-12-9-15(21)5-8-17(12)26-19-10-18(23-13(2)24-19)20(27)25-16-6-3-14(11-22)4-7-16/h3-10H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyKBLIECQHDVGFIF-UHFFFAOYSA-N
XLogP4.61
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850402
N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (CID 112850278) is 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(Cl)cc2C)cc(C(=O)Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is KBLIECQHDVGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-12-9-15(21)5-8-17(12)26-19-10-18(23-13(2)24-19)20(27)25-16-6-3-14(11-22)4-7-16/h3-10H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).