5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C18H15ClN2O3 — CID 2978271

IUPAC5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c1-10(22)15-16(11-5-3-2-4-6-11)20-18(24)21-17(15)12-7-8-14(23)13(19)9-12/h2-9,17,23H,1H3,(H2,20,21,24)
InChIKeyUURUTQSYIFTPCY-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.40
Rot. Bonds3

About 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2978271) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2978271
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C18H15ClN2O3/c1-10(22)15-16(11-5-3-2-4-6-11)20-18(24)21-17(15)12-7-8-14(23)13(19)9-12/h2-9,17,23H,1H3,(H2,20,21,24)
InChIKeyUURUTQSYIFTPCY-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2978271) is 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(O)c(Cl)c1.
What is the InChIKey of 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is UURUTQSYIFTPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-10(22)15-16(11-5-3-2-4-6-11)20-18(24)21-17(15)12-7-8-14(23)13(19)9-12/h2-9,17,23H,1H3,(H2,20,21,24).
What are the key properties of 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 342.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(3-chloro-4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2978271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).