2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C19H13Cl2N5O — CID 109338146

IUPAC2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H13Cl2N5O/c1-11-8-17(18(27)25-16-9-13(20)4-7-15(16)21)26-19(23-11)24-14-5-2-12(10-22)3-6-14/h2-9H,1H3,(H,25,27)(H,23,24,26)
InChIKeyRQVVYEHNIZNWOD-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109338146) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109338146
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H13Cl2N5O/c1-11-8-17(18(27)25-16-9-13(20)4-7-15(16)21)26-19(23-11)24-14-5-2-12(10-22)3-6-14/h2-9H,1H3,(H,25,27)(H,23,24,26)
InChIKeyRQVVYEHNIZNWOD-UHFFFAOYSA-N
XLogP4.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(3-chloro-4-methylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337316
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
N-[(4-chlorophenyl)methyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109329082
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
N-[2-(4-chlorophenyl)ethyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109331741
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109338079

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109338146) is 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is RQVVYEHNIZNWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c1-11-8-17(18(27)25-16-9-13(20)4-7-15(16)21)26-19(23-11)24-14-5-2-12(10-22)3-6-14/h2-9H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).