4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H19F3N4 — CID 106772128

IUPAC4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)C2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-8(9-5-3-4-6-9)18-11-7-10(17-2)19-12(20-11)13(14,15)16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyHKBRJSFYIBFKBY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.53
Rot. Bonds4

About 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772128) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772128
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)C2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-8(9-5-3-4-6-9)18-11-7-10(17-2)19-12(20-11)13(14,15)16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyHKBRJSFYIBFKBY-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine 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 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772128) is 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NC(C)C2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is HKBRJSFYIBFKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-8(9-5-3-4-6-9)18-11-7-10(17-2)19-12(20-11)13(14,15)16/h7-9H,3-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).