disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one

C5H6N2Na2O3+2 — CID 139596980

IUPACdisodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc[nH]c1=O.[Na+].[Na+]
InChIInChI=1S/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;/q;2*+1
InChIKeyRUMJWTQIKUQSCT-UHFFFAOYSA-N
MW188.09 g/mol
LogP-6.51
Rot. Bonds1

About disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one

disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 139596980) has the molecular formula C5H6N2Na2O3+2 and a molecular weight of 188.09 g/mol. Its IUPAC name is disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Namedisodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID139596980
Molecular FormulaC5H6N2Na2O3+2
Molecular Weight188.09 g/mol
Exact Mass188.02
IUPAC Namedisodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(O)nc[nH]c1=O.[Na+].[Na+]
InChIInChI=1S/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;/q;2*+1
InChIKeyRUMJWTQIKUQSCT-UHFFFAOYSA-N
XLogP-6.51
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 5-6.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze disodium;4-hydroxy-5-methoxy-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 disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one (CID 139596980) is disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one is COc1c(O)nc[nH]c1=O.[Na+].[Na+].
What is the InChIKey of disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is RUMJWTQIKUQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.2Na/c1-10-3-4(8)6-2-7-5(3)9;;/h2H,1H3,(H2,6,7,8,9);;/q;2*+1.
What are the key properties of disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one?
disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 188.09 g/mol, XLogP of -6.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-hydroxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 139596980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).