4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine

C14H22N4S — CID 80636937

IUPAC4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCC2)nc(C2CCCCS2)n1
InChIInChI=1S/C14H22N4S/c15-14-17-12(10-6-2-1-3-7-10)16-13(18-14)11-8-4-5-9-19-11/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyWPWMFAICWILLIQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.46
Rot. Bonds2

About 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine (PubChem CID 80636937) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
PubChem CID80636937
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CCCCC2)nc(C2CCCCS2)n1
InChIInChI=1S/C14H22N4S/c15-14-17-12(10-6-2-1-3-7-10)16-13(18-14)11-8-4-5-9-19-11/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyWPWMFAICWILLIQ-UHFFFAOYSA-N
XLogP3.46
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexyl-6-(thian-2-yl)-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

Related Compounds

4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-cyclohexyl-6-(3-methyl-1,4-dithian-2-yl)-1,3,5-triazin-2-amine
CID 115389198
4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine
CID 83083671
4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
4-cyclopentyl-6-(4-propan-2-ylcyclohexyl)-1,3,5-triazin-2-amine
CID 65401606
4-cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-cycloheptyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868369
6-cyclohexyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67217441
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975
4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
CID 106446147
4-cycloheptyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
CID 65356333

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine (CID 80636937) is 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine is Nc1nc(C2CCCCC2)nc(C2CCCCS2)n1.
What is the InChIKey of 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is WPWMFAICWILLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c15-14-17-12(10-6-2-1-3-7-10)16-13(18-14)11-8-4-5-9-19-11/h10-11H,1-9H2,(H2,15,16,17,18).
What are the key properties of 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(thian-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80636937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).