2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one

C7H9N3O — CID 175063286

IUPAC2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCC2=C1NCN=C2
InChIInChI=1S/C7H9N3O/c11-7-6-5(1-2-9-7)3-8-4-10-6/h3,10H,1-2,4H2,(H,9,11)
InChIKeyNMILDZAJANTCLO-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.61
Rot. Bonds

About 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one

2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 175063286) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID175063286
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCC2=C1NCN=C2
InChIInChI=1S/C7H9N3O/c11-7-6-5(1-2-9-7)3-8-4-10-6/h3,10H,1-2,4H2,(H,9,11)
InChIKeyNMILDZAJANTCLO-UHFFFAOYSA-N
XLogP-0.61
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one (CID 175063286) is 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCC2=C1NCN=C2.
What is the InChIKey of 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is NMILDZAJANTCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-6-5(1-2-9-7)3-8-4-10-6/h3,10H,1-2,4H2,(H,9,11).
What are the key properties of 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one?
2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 151.17 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetrahydro-1H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 175063286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).