4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one

C10H14N2OS — CID 137245313

IUPAC4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(C)=CCSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H14N2OS/c1-7(2)4-5-14-10-11-8(3)6-9(13)12-10/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyDGGURBVNDJGTJP-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one

4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 137245313) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one
PubChem CID137245313
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one
SMILESCC(C)=CCSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H14N2OS/c1-7(2)4-5-14-10-11-8(3)6-9(13)12-10/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyDGGURBVNDJGTJP-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-2-(3-methylbut-2-enylsulfanyl)-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-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one (CID 137245313) is 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one is CC(C)=CCSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is DGGURBVNDJGTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(2)4-5-14-10-11-8(3)6-9(13)12-10/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one?
4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 210.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbut-2-enylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137245313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).