5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate

C9H13N3O3 — CID 137192707

IUPAC5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate
SMILESCCON1CC(O)=Cc2ncncc21.O
InChIInChI=1S/C9H11N3O2.H2O/c1-2-14-12-5-7(13)3-8-9(12)4-10-6-11-8;/h3-4,6,13H,2,5H2,1H3;1H2
InChIKeyNWSHJSRMGMUUSY-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.32
Rot. Bonds2

About 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate

5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate (PubChem CID 137192707) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate.

Molecular Properties

Compound Name5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate
PubChem CID137192707
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate
SMILESCCON1CC(O)=Cc2ncncc21.O
InChIInChI=1S/C9H11N3O2.H2O/c1-2-14-12-5-7(13)3-8-9(12)4-10-6-11-8;/h3-4,6,13H,2,5H2,1H3;1H2
InChIKeyNWSHJSRMGMUUSY-UHFFFAOYSA-N
XLogP0.32
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate 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 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate?
The IUPAC name of 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate (CID 137192707) is 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate.
What is the SMILES notation for 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate?
The canonical SMILES for 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate is CCON1CC(O)=Cc2ncncc21.O.
What is the InChIKey of 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate?
The InChIKey is NWSHJSRMGMUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.H2O/c1-2-14-12-5-7(13)3-8-9(12)4-10-6-11-8;/h3-4,6,13H,2,5H2,1H3;1H2.
What are the key properties of 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate?
5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate has a molecular weight of 211.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6H-pyrido[3,2-d]pyrimidin-7-ol;hydrate is sourced from PubChem (CID 137192707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).