4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one

C8H12N2O2S — CID 65134849

IUPAC4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)SCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-5(2)13-4-6-9-7(11)3-8(12)10-6/h3,5H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyMKYZZWCBQNLDTH-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.12
Rot. Bonds3

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

4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 65134849) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID65134849
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)SCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-5(2)13-4-6-9-7(11)3-8(12)10-6/h3,5H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyMKYZZWCBQNLDTH-UHFFFAOYSA-N
XLogP1.12
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-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-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one (CID 65134849) is 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one is CC(C)SCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MKYZZWCBQNLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)13-4-6-9-7(11)3-8(12)10-6/h3,5H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65134849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).