6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide

C17H16ClF3N4O — CID 109341522

IUPAC6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2cc(C(F)(F)F)ccc2Cl)ncn1
InChIInChI=1S/C17H16ClF3N4O/c18-12-6-5-10(17(19,20)21)7-13(12)25-15-8-14(22-9-23-15)16(26)24-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,24,26)(H,22,23,25)
InChIKeyMRZNLCHEPPQBKO-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.56
Rot. Bonds4

About 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide

6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide (PubChem CID 109341522) has the molecular formula C17H16ClF3N4O and a molecular weight of 384.79 g/mol. Its IUPAC name is 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
PubChem CID109341522
Molecular FormulaC17H16ClF3N4O
Molecular Weight384.79 g/mol
Exact Mass384.10
IUPAC Name6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2cc(C(F)(F)F)ccc2Cl)ncn1
InChIInChI=1S/C17H16ClF3N4O/c18-12-6-5-10(17(19,20)21)7-13(12)25-15-8-14(22-9-23-15)16(26)24-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,24,26)(H,22,23,25)
InChIKeyMRZNLCHEPPQBKO-UHFFFAOYSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-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

N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274775
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354252
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340340
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide (CID 109341522) is 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(Nc2cc(C(F)(F)F)ccc2Cl)ncn1.
What is the InChIKey of 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
The InChIKey is MRZNLCHEPPQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O/c18-12-6-5-10(17(19,20)21)7-13(12)25-15-8-14(22-9-23-15)16(26)24-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,24,26)(H,22,23,25).
What are the key properties of 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide?
6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109341522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).