4-phenylindeno[1,2-d]pyrimidin-5-one

C17H10N2O — CID 23635881

IUPAC4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESO=C1c2ccccc2-c2ncnc(-c3ccccc3)c21
InChIInChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)15(18-10-19-16)11-6-2-1-3-7-11/h1-10H
InChIKeyUNTDCABJEUFVOR-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.36
Rot. Bonds1

About 4-phenylindeno[1,2-d]pyrimidin-5-one

4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 23635881) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID23635881
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESO=C1c2ccccc2-c2ncnc(-c3ccccc3)c21
InChIInChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)15(18-10-19-16)11-6-2-1-3-7-11/h1-10H
InChIKeyUNTDCABJEUFVOR-UHFFFAOYSA-N
XLogP3.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 4-phenylindeno[1,2-d]pyrimidin-5-one (CID 23635881) is 4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 4-phenylindeno[1,2-d]pyrimidin-5-one is O=C1c2ccccc2-c2ncnc(-c3ccccc3)c21.
What is the InChIKey of 4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is UNTDCABJEUFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)15(18-10-19-16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 4-phenylindeno[1,2-d]pyrimidin-5-one?
4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 258.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 23635881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).