5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one

C5H7N3O2S — CID 14893042

IUPAC5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C5H7N3O2S/c1-11-5-7-3(9)2(6)4(10)8-5/h6H2,1H3,(H2,7,8,9,10)
InChIKeySJUBVFWOTVLTGG-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.22
Rot. Bonds1

About 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one

5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 14893042) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID14893042
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(N)c(=O)[nH]1
InChIInChI=1S/C5H7N3O2S/c1-11-5-7-3(9)2(6)4(10)8-5/h6H2,1H3,(H2,7,8,9,10)
InChIKeySJUBVFWOTVLTGG-UHFFFAOYSA-N
XLogP-0.22
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-hydroxy-2-methylsulfanyl-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

6-Amino-2-(methylsulfanyl)-5-nitroso-3,4-dihydropyrimidin-4-one
CID 135408765
5-Amino-6-hydroxy-2-(methylthio)-4-pyrimidinecarboxamide
CID 135427552
5,6-Diamino-4-hydroxy-2-methylthiopyrimidine
CID 135474963
5-Amino-2-(propylthio)pyrimidine-4,6-diol
CID 73296253
5-Fluoro-6-hydroxy-2-methylthio-4(1h)-pyrimidinone
CID 15334657
6-Amino-5-(methylideneamino)-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 136235091
5-Amino-6-methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 135703379
2-(Methylthio)-5-nitropyrimidine-4,6-diol
CID 14893043
5-Amino-2-(propylthio)pyrimidine-4,6-diol hydrochloride
CID 90036588
5-amino-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 123370204
5,6-Diamino-2-methylsulfanyl-pyrimidin-4-ol dihydrochloride
CID 136070709
4-hydroxy-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
CID 137202421

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one (CID 14893042) is 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is SJUBVFWOTVLTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11-5-7-3(9)2(6)4(10)8-5/h6H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one?
5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 173.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 14893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).