2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C17H11BrN2O2 — CID 22515948

IUPAC2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C17H11BrN2O2/c18-12-7-5-10(6-8-12)15-19-16(21)13-9-11-3-1-2-4-14(11)22-17(13)20-15/h1-8H,9H2,(H,19,20,21)
InChIKeyPLSFKNKCFUSTEM-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.90
Rot. Bonds1

About 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22515948) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22515948
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C17H11BrN2O2/c18-12-7-5-10(6-8-12)15-19-16(21)13-9-11-3-1-2-4-14(11)22-17(13)20-15/h1-8H,9H2,(H,19,20,21)
InChIKeyPLSFKNKCFUSTEM-UHFFFAOYSA-N
XLogP3.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22515948) is 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Br)cc2)nc2c1Cc1ccccc1O2.
What is the InChIKey of 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is PLSFKNKCFUSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c18-12-7-5-10(6-8-12)15-19-16(21)13-9-11-3-1-2-4-14(11)22-17(13)20-15/h1-8H,9H2,(H,19,20,21).
What are the key properties of 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 355.19 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22515948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).