5,6-dihydro-1H-pteridin-2-one

C6H6N4O — CID 54006965

IUPAC5,6-dihydro-1H-pteridin-2-one
SMILESO=c1ncc2c([nH]1)N=CCN2
InChIInChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h2-3,7H,1H2,(H,9,10,11)
InChIKeyKPONLVNSDIYSEW-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.10
Rot. Bonds

About 5,6-dihydro-1H-pteridin-2-one

5,6-dihydro-1H-pteridin-2-one (PubChem CID 54006965) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5,6-dihydro-1H-pteridin-2-one.

Molecular Properties

Compound Name5,6-dihydro-1H-pteridin-2-one
PubChem CID54006965
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5,6-dihydro-1H-pteridin-2-one
SMILESO=c1ncc2c([nH]1)N=CCN2
InChIInChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h2-3,7H,1H2,(H,9,10,11)
InChIKeyKPONLVNSDIYSEW-UHFFFAOYSA-N
XLogP-0.10
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,6-dihydro-1H-pteridin-2-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 5,6-dihydro-1H-pteridin-2-one?
The IUPAC name of 5,6-dihydro-1H-pteridin-2-one (CID 54006965) is 5,6-dihydro-1H-pteridin-2-one.
What is the SMILES notation for 5,6-dihydro-1H-pteridin-2-one?
The canonical SMILES for 5,6-dihydro-1H-pteridin-2-one is O=c1ncc2c([nH]1)N=CCN2.
What is the InChIKey of 5,6-dihydro-1H-pteridin-2-one?
The InChIKey is KPONLVNSDIYSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h2-3,7H,1H2,(H,9,10,11).
What are the key properties of 5,6-dihydro-1H-pteridin-2-one?
5,6-dihydro-1H-pteridin-2-one has a molecular weight of 150.14 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-pteridin-2-one is sourced from PubChem (CID 54006965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).