2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C19H20ClF3N4O — CID 10476800

IUPAC2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H20ClF3N4O/c1-11-6-7-13(20)8-15(11)26-18-25-10-14(16(27-18)19(21,22)23)17(28)24-9-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyNNSKSYHXSAOSAI-UHFFFAOYSA-N
MW412.84 g/mol
LogP5.12
Rot. Bonds5

About 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10476800) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10476800
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C19H20ClF3N4O/c1-11-6-7-13(20)8-15(11)26-18-25-10-14(16(27-18)19(21,22)23)17(28)24-9-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyNNSKSYHXSAOSAI-UHFFFAOYSA-N
XLogP5.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.84
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-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

GW842166
CID 10253143
N-(3-chloro-2-methylphenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899661
2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780275
2-(3 Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid benzylamide
CID 9931203
2-(2-chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-benzylamide
CID 9978707
2-(3-Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid 4-cyanobenzylamide
CID 10002881
2-(4-chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-benzylamide
CID 10024336
2-(3-Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid 4-fluorobenzylamide
CID 10025406
2-(3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(cyclobutylmethyl)amide
CID 10045603
2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(tetrahydropyran-4-ylmethyl)amide
CID 10049358
2-(3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(tetrahydropyran-4-ylmethyl)amide
CID 10070428
2-(2-Fluoro-3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid(tetrahydro-pyran-4-ylmethyl)-amide
CID 10071498

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10476800) is 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is Cc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is NNSKSYHXSAOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O/c1-11-6-7-13(20)8-15(11)26-18-25-10-14(16(27-18)19(21,22)23)17(28)24-9-12-4-2-3-5-12/h6-8,10,12H,2-5,9H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(cyclopentylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10476800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).