4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one

C9H14N2O2S — CID 65138400

IUPAC4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)CSCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-6(2)4-14-5-7-10-8(12)3-9(13)11-7/h3,6H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyJIEOBDAUIPLVKD-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.36
Rot. Bonds4

About 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 65138400) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID65138400
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)CSCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-6(2)4-14-5-7-10-8(12)3-9(13)11-7/h3,6H,4-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyJIEOBDAUIPLVKD-UHFFFAOYSA-N
XLogP1.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-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-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one (CID 65138400) is 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one is CC(C)CSCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is JIEOBDAUIPLVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)4-14-5-7-10-8(12)3-9(13)11-7/h3,6H,4-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 214.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65138400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).