2-cyclohexylsulfanylpyrimidin-5-amine

C10H15N3S — CID 61145321

IUPAC2-cyclohexylsulfanylpyrimidin-5-amine
SMILESNc1cnc(SC2CCCCC2)nc1
InChIInChI=1S/C10H15N3S/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5,11H2
InChIKeyHZVLCGHJERMTCY-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.48
Rot. Bonds2

About 2-cyclohexylsulfanylpyrimidin-5-amine

2-cyclohexylsulfanylpyrimidin-5-amine (PubChem CID 61145321) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-cyclohexylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanylpyrimidin-5-amine
PubChem CID61145321
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-cyclohexylsulfanylpyrimidin-5-amine
SMILESNc1cnc(SC2CCCCC2)nc1
InChIInChI=1S/C10H15N3S/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5,11H2
InChIKeyHZVLCGHJERMTCY-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexylsulfanylpyrimidin-5-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 2-cyclohexylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-cyclohexylsulfanylpyrimidin-5-amine (CID 61145321) is 2-cyclohexylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-cyclohexylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-cyclohexylsulfanylpyrimidin-5-amine is Nc1cnc(SC2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexylsulfanylpyrimidin-5-amine?
The InChIKey is HZVLCGHJERMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h6-7,9H,1-5,11H2.
What are the key properties of 2-cyclohexylsulfanylpyrimidin-5-amine?
2-cyclohexylsulfanylpyrimidin-5-amine has a molecular weight of 209.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 61145321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).