3,6-diphenylpyrido[3,2-d]pyrimidin-4-one

C19H13N3O — CID 134805254

IUPAC3,6-diphenylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccccc3)ccc2ncn1-c1ccccc1
InChIInChI=1S/C19H13N3O/c23-19-18-17(20-13-22(19)15-9-5-2-6-10-15)12-11-16(21-18)14-7-3-1-4-8-14/h1-13H
InChIKeyYDHGNCAHHYGTBQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.45
Rot. Bonds2

About 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one

3,6-diphenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805254) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-diphenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134805254
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name3,6-diphenylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccccc3)ccc2ncn1-c1ccccc1
InChIInChI=1S/C19H13N3O/c23-19-18-17(20-13-22(19)15-9-5-2-6-10-15)12-11-16(21-18)14-7-3-1-4-8-14/h1-13H
InChIKeyYDHGNCAHHYGTBQ-UHFFFAOYSA-N
XLogP3.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one (CID 134805254) is 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccccc3)ccc2ncn1-c1ccccc1.
What is the InChIKey of 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is YDHGNCAHHYGTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19-18-17(20-13-22(19)15-9-5-2-6-10-15)12-11-16(21-18)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one?
3,6-diphenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).