6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

C19H14ClN5O — CID 112850016

IUPAC6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Cl)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H14ClN5O/c1-12-22-17(19(26)24-14-8-6-13(11-21)7-9-14)10-18(23-12)25-16-5-3-2-4-15(16)20/h2-10H,1H3,(H,24,26)(H,22,23,25)
InChIKeyDVQDKGSIJUMLTE-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850016) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850016
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Cl)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H14ClN5O/c1-12-22-17(19(26)24-14-8-6-13(11-21)7-9-14)10-18(23-12)25-16-5-3-2-4-15(16)20/h2-10H,1H3,(H,24,26)(H,22,23,25)
InChIKeyDVQDKGSIJUMLTE-UHFFFAOYSA-N
XLogP4.31
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850402
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (CID 112850016) is 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2Cl)cc(C(=O)Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is DVQDKGSIJUMLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-22-17(19(26)24-14-8-6-13(11-21)7-9-14)10-18(23-12)25-16-5-3-2-4-15(16)20/h2-10H,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).