4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one

C6H8N2O4 — CID 66641263

IUPAC4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one
SMILESCOc1nc(O)c(OC)c(=O)[nH]1
InChIInChI=1S/C6H8N2O4/c1-11-3-4(9)7-6(12-2)8-5(3)10/h1-2H3,(H2,7,8,9,10)
InChIKeyAIABHCCUCDIIGW-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.51
Rot. Bonds2

About 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one

4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one (PubChem CID 66641263) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one
PubChem CID66641263
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one
SMILESCOc1nc(O)c(OC)c(=O)[nH]1
InChIInChI=1S/C6H8N2O4/c1-11-3-4(9)7-6(12-2)8-5(3)10/h1-2H3,(H2,7,8,9,10)
InChIKeyAIABHCCUCDIIGW-UHFFFAOYSA-N
XLogP-0.51
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2,5-dimethoxy-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-2,5-dimethoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one (CID 66641263) is 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one is COc1nc(O)c(OC)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one?
The InChIKey is AIABHCCUCDIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-11-3-4(9)7-6(12-2)8-5(3)10/h1-2H3,(H2,7,8,9,10).
What are the key properties of 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one?
4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one has a molecular weight of 172.14 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-dimethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66641263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).