4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one

C9H14N2O2S — CID 65129461

IUPAC4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCCSCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-3-4-14-5-7-10-8(12)6(2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyMAWVCEZYGUBXSJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.43
Rot. Bonds4

About 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 65129461) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID65129461
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCCSCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-3-4-14-5-7-10-8(12)6(2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyMAWVCEZYGUBXSJ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-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

2-(Bis(ethylthio)methyl)pyrimidine-4,6-diol
CID 57964867
2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 65130665
5,6-Dimethyl-2-[2-(methylsulfanyl)ethyl]pyrimidin-4(1H)-one
CID 135849750
2-(ethylsulfanylmethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136234366
4,5-dimethyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136234477
2-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid
CID 3762111
4-hydroxy-2-(methylsulfanylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611441
4-hydroxy-5-methyl-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
CID 63612442
4-hydroxy-5-methyl-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 63612614
5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
CID 63612783
4-hydroxy-2-(methylsulfanylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613458
4-hydroxy-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65129460

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one (CID 65129461) is 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one is CCCSCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MAWVCEZYGUBXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-4-14-5-7-10-8(12)6(2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 214.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65129461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).