N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine

C12H16F3N3 — CID 64923601

IUPACN-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCC(Nc2nccc(C(F)(F)F)n2)C1C
InChIInChI=1S/C12H16F3N3/c1-7-3-4-9(8(7)2)17-11-16-6-5-10(18-11)12(13,14)15/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyYUFCNYLNHSBDOR-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.34
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64923601) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64923601
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCC(Nc2nccc(C(F)(F)F)n2)C1C
InChIInChI=1S/C12H16F3N3/c1-7-3-4-9(8(7)2)17-11-16-6-5-10(18-11)12(13,14)15/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyYUFCNYLNHSBDOR-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclopentyl)-4-(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-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 64923601) is N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is CC1CCC(Nc2nccc(C(F)(F)F)n2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YUFCNYLNHSBDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-7-3-4-9(8(7)2)17-11-16-6-5-10(18-11)12(13,14)15/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64923601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).