7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one

C7H7N3O — CID 82417594

IUPAC7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
SMILESO=C1CNCc2ncncc21
InChIInChI=1S/C7H7N3O/c11-7-3-8-2-6-5(7)1-9-4-10-6/h1,4,8H,2-3H2
InChIKeyZQGDVCUOIJWQIL-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.24
Rot. Bonds

About 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one

7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one (PubChem CID 82417594) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
PubChem CID82417594
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
SMILESO=C1CNCc2ncncc21
InChIInChI=1S/C7H7N3O/c11-7-3-8-2-6-5(7)1-9-4-10-6/h1,4,8H,2-3H2
InChIKeyZQGDVCUOIJWQIL-UHFFFAOYSA-N
XLogP-0.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 22707087
6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 67414259
pyrrolidine-3,4-dione
CID 13027232
thieno[2,3-d]pyrimidin-5-one
CID 140897228
pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
methylphosphane;thieno[2,3-d]pyrimidin-5-one
CID 145128567
7-methylidene-8H-pyrido[4,3-d]pyrimidin-5-amine
CID 58429769
8H-pyrido[4,3-d]pyrimidin-7-one
CID 67528187
6,11-dihydropyrimido[4,5-b][1]benzazepin-5-one
CID 70562575

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one?
The IUPAC name of 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one (CID 82417594) is 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one?
The canonical SMILES for 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one is O=C1CNCc2ncncc21.
What is the InChIKey of 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one?
The InChIKey is ZQGDVCUOIJWQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-3-8-2-6-5(7)1-9-4-10-6/h1,4,8H,2-3H2.
What are the key properties of 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one?
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one has a molecular weight of 149.15 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 82417594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).