3-pyrimidin-4-ylsulfanylcyclohexan-1-amine

C10H15N3S — CID 64723025

IUPAC3-pyrimidin-4-ylsulfanylcyclohexan-1-amine
SMILESNC1CCCC(Sc2ccncn2)C1
InChIInChI=1S/C10H15N3S/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3,6,11H2
InChIKeyOGMBESHPAAUGHG-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.84
Rot. Bonds2

About 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine

3-pyrimidin-4-ylsulfanylcyclohexan-1-amine (PubChem CID 64723025) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name3-pyrimidin-4-ylsulfanylcyclohexan-1-amine
PubChem CID64723025
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-pyrimidin-4-ylsulfanylcyclohexan-1-amine
SMILESNC1CCCC(Sc2ccncn2)C1
InChIInChI=1S/C10H15N3S/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3,6,11H2
InChIKeyOGMBESHPAAUGHG-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The IUPAC name of 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine (CID 64723025) is 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine is NC1CCCC(Sc2ccncn2)C1.
What is the InChIKey of 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The InChIKey is OGMBESHPAAUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-8-2-1-3-9(6-8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3,6,11H2.
What are the key properties of 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
3-pyrimidin-4-ylsulfanylcyclohexan-1-amine has a molecular weight of 209.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64723025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).