6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide

C20H16ClN5O — CID 112850277

IUPAC6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2C)cc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C20H16ClN5O/c1-12-8-15(21)6-7-17(12)26-19-10-18(23-13(2)24-19)20(27)25-16-5-3-4-14(9-16)11-22/h3-10H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyOICFQRQARVTEOY-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.61
Rot. Bonds4

About 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide

6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850277) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850277
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2C)cc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C20H16ClN5O/c1-12-8-15(21)6-7-17(12)26-19-10-18(23-13(2)24-19)20(27)25-16-5-3-4-14(9-16)11-22/h3-10H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyOICFQRQARVTEOY-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-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
6-(3-cyanoanilino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849468
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide (CID 112850277) is 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(Cl)cc2C)cc(C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is OICFQRQARVTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-12-8-15(21)6-7-17(12)26-19-10-18(23-13(2)24-19)20(27)25-16-5-3-4-14(9-16)11-22/h3-10H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-chloro-2-methylanilino)-N-(3-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-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).