4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C11H17N3OS — CID 136762607

IUPAC4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]cn2)CCCC1
InChIInChI=1S/C11H17N3OS/c1-16-11(4-2-3-5-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyVNLVBRJFFVKKSE-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.86
Rot. Bonds4

About 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one

4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762607) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762607
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]cn2)CCCC1
InChIInChI=1S/C11H17N3OS/c1-16-11(4-2-3-5-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyVNLVBRJFFVKKSE-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylsulfanylcyclopentyl)methylamino]-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 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136762607) is 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2cc(=O)[nH]cn2)CCCC1.
What is the InChIKey of 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VNLVBRJFFVKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-16-11(4-2-3-5-11)7-12-9-6-10(15)14-8-13-9/h6,8H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).