N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H18F3N3O — CID 4603788

IUPACN-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)nc(NC2CCCC2)n1
InChIInChI=1S/C17H18F3N3O/c1-24-14-9-5-4-8-12(14)13-10-15(17(18,19)20)23-16(22-13)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,22,23)
InChIKeyUGNZMJFTERHUKO-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.53
Rot. Bonds4

About N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 4603788) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID4603788
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)nc(NC2CCCC2)n1
InChIInChI=1S/C17H18F3N3O/c1-24-14-9-5-4-8-12(14)13-10-15(17(18,19)20)23-16(22-13)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,22,23)
InChIKeyUGNZMJFTERHUKO-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 4603788) is N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccccc1-c1cc(C(F)(F)F)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UGNZMJFTERHUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-24-14-9-5-4-8-12(14)13-10-15(17(18,19)20)23-16(22-13)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,22,23).
What are the key properties of N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 337.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 4603788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).