2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C17H12N2O2 — CID 3946486

IUPAC2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C17H12N2O2/c20-16-13-10-12-8-4-5-9-14(12)21-17(13)19-15(18-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,20)
InChIKeyWZCOTJXWMZOGLM-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.13
Rot. Bonds1

About 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 3946486) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID3946486
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C17H12N2O2/c20-16-13-10-12-8-4-5-9-14(12)21-17(13)19-15(18-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,20)
InChIKeyWZCOTJXWMZOGLM-UHFFFAOYSA-N
XLogP3.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 3946486) is 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1Cc1ccccc1O2.
What is the InChIKey of 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is WZCOTJXWMZOGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16-13-10-12-8-4-5-9-14(12)21-17(13)19-15(18-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,20).
What are the key properties of 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 276.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3946486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).