4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

C15H17FN4S — CID 66083075

IUPAC4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2F)nc(C2CCCC2)n1
InChIInChI=1S/C15H17FN4S/c16-11-7-3-4-8-12(11)21-9-13-18-14(20-15(17)19-13)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,18,19,20)
InChIKeyHXNJZIBLXQTIDT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.54
Rot. Bonds4

About 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine

4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (PubChem CID 66083075) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
PubChem CID66083075
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC Name4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2F)nc(C2CCCC2)n1
InChIInChI=1S/C15H17FN4S/c16-11-7-3-4-8-12(11)21-9-13-18-14(20-15(17)19-13)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,18,19,20)
InChIKeyHXNJZIBLXQTIDT-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-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 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine (CID 66083075) is 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is Nc1nc(CSc2ccccc2F)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
The InChIKey is HXNJZIBLXQTIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c16-11-7-3-4-8-12(11)21-9-13-18-14(20-15(17)19-13)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,18,19,20).
What are the key properties of 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine?
4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine has a molecular weight of 304.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66083075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).