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

C10H15N3OS — CID 136762598

IUPAC4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]cn2)CCC1
InChIInChI=1S/C10H15N3OS/c1-15-10(3-2-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyKODWZXWLHLIGMD-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.47
Rot. Bonds4

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

4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762598) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762598
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]cn2)CCC1
InChIInChI=1S/C10H15N3OS/c1-15-10(3-2-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyKODWZXWLHLIGMD-UHFFFAOYSA-N
XLogP1.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylsulfanylcyclobutyl)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

Related Compounds

4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723623
4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762580
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762590
2-methyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762592
5-chloro-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762595
5-iodo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762596
5-bromo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762599
2-ethyl-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762600
4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762607
4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762618
4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778340
4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136811839

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136762598) is 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2cc(=O)[nH]cn2)CCC1.
What is the InChIKey of 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KODWZXWLHLIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-10(3-2-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).