1-ethyl-5,7-dihydropteridin-6-one

C8H10N4O — CID 140996875

IUPAC1-ethyl-5,7-dihydropteridin-6-one
SMILESCCN1C=NC=C2NC(=O)CN=C21
InChIInChI=1S/C8H10N4O/c1-2-12-5-9-3-6-8(12)10-4-7(13)11-6/h3,5H,2,4H2,1H3,(H,11,13)
InChIKeyWENYKAZTNDUUAD-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.28
Rot. Bonds1

About 1-ethyl-5,7-dihydropteridin-6-one

1-ethyl-5,7-dihydropteridin-6-one (PubChem CID 140996875) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-ethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name1-ethyl-5,7-dihydropteridin-6-one
PubChem CID140996875
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-ethyl-5,7-dihydropteridin-6-one
SMILESCCN1C=NC=C2NC(=O)CN=C21
InChIInChI=1S/C8H10N4O/c1-2-12-5-9-3-6-8(12)10-4-7(13)11-6/h3,5H,2,4H2,1H3,(H,11,13)
InChIKeyWENYKAZTNDUUAD-UHFFFAOYSA-N
XLogP-0.28
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5,7-dihydropteridin-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 1-ethyl-5,7-dihydropteridin-6-one?
The IUPAC name of 1-ethyl-5,7-dihydropteridin-6-one (CID 140996875) is 1-ethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 1-ethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 1-ethyl-5,7-dihydropteridin-6-one is CCN1C=NC=C2NC(=O)CN=C21.
What is the InChIKey of 1-ethyl-5,7-dihydropteridin-6-one?
The InChIKey is WENYKAZTNDUUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-12-5-9-3-6-8(12)10-4-7(13)11-6/h3,5H,2,4H2,1H3,(H,11,13).
What are the key properties of 1-ethyl-5,7-dihydropteridin-6-one?
1-ethyl-5,7-dihydropteridin-6-one has a molecular weight of 178.19 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 140996875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).