6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one

C16H13ClN2O2 — CID 90899433

IUPAC6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one
SMILESO=C1N=C(c2cccc(Cl)c2)CCN1c1ccccc1O
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-4-11(10-12)13-8-9-19(16(21)18-13)14-6-1-2-7-15(14)20/h1-7,10,20H,8-9H2
InChIKeyAZMSRTIDSZYXSQ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.87
Rot. Bonds2

About 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one

6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one (PubChem CID 90899433) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one
PubChem CID90899433
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one
SMILESO=C1N=C(c2cccc(Cl)c2)CCN1c1ccccc1O
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-4-11(10-12)13-8-9-19(16(21)18-13)14-6-1-2-7-15(14)20/h1-7,10,20H,8-9H2
InChIKeyAZMSRTIDSZYXSQ-UHFFFAOYSA-N
XLogP3.87
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one (CID 90899433) is 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one is O=C1N=C(c2cccc(Cl)c2)CCN1c1ccccc1O.
What is the InChIKey of 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one?
The InChIKey is AZMSRTIDSZYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-5-3-4-11(10-12)13-8-9-19(16(21)18-13)14-6-1-2-7-15(14)20/h1-7,10,20H,8-9H2.
What are the key properties of 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one?
6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one has a molecular weight of 300.75 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrimidin-2-one is sourced from PubChem (CID 90899433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).