3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one

C7H7N3O — CID 18321415

IUPAC3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESO=C1NCc2cnccc2N1
InChIInChI=1S/C7H7N3O/c11-7-9-4-5-3-8-2-1-6(5)10-7/h1-3H,4H2,(H2,9,10,11)
InChIKeyWPAXTJXJPUCYHW-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.72
Rot. Bonds

About 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one

3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 18321415) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID18321415
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESO=C1NCc2cnccc2N1
InChIInChI=1S/C7H7N3O/c11-7-9-4-5-3-8-2-1-6(5)10-7/h1-3H,4H2,(H2,9,10,11)
InChIKeyWPAXTJXJPUCYHW-UHFFFAOYSA-N
XLogP0.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one (CID 18321415) is 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one is O=C1NCc2cnccc2N1.
What is the InChIKey of 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is WPAXTJXJPUCYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-9-4-5-3-8-2-1-6(5)10-7/h1-3H,4H2,(H2,9,10,11).
What are the key properties of 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one?
3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 149.15 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 18321415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).