5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C11H17N3O2S — CID 136964251

IUPAC5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC2SC)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2S/c1-16-9-10(12-6-13-11(9)15)14-7-4-3-5-8(7)17-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWFBPFIDPTJNWTJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.47
Rot. Bonds4

About 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136964251) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136964251
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC2SC)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2S/c1-16-9-10(12-6-13-11(9)15)14-7-4-3-5-8(7)17-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWFBPFIDPTJNWTJ-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-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 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136964251) is 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is COc1c(NC2CCCC2SC)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WFBPFIDPTJNWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-9-10(12-6-13-11(9)15)14-7-4-3-5-8(7)17-2/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 255.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136964251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).