2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one

C10H15N3OS — CID 64610121

IUPAC2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
SMILESNC1CCCCC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c11-7-3-1-2-4-8(7)15-10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyNTRQTBCSMZMNRP-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.13
Rot. Bonds2

About 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one

2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 64610121) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID64610121
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
SMILESNC1CCCCC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c11-7-3-1-2-4-8(7)15-10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyNTRQTBCSMZMNRP-UHFFFAOYSA-N
XLogP1.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one 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-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one (CID 64610121) is 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one is NC1CCCCC1Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is NTRQTBCSMZMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-7-3-1-2-4-8(7)15-10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14).
What are the key properties of 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64610121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).