4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one

C20H19ClN2O2 — CID 175672912

IUPAC4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCc1ccc(/C=C/C2=C(CO)C(c3ccc(Cl)cc3)NC(=O)N2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13-2-4-14(5-3-13)6-11-18-17(12-24)19(23-20(25)22-18)15-7-9-16(21)10-8-15/h2-11,19,24H,12H2,1H3,(H2,22,23,25)/b11-6+
InChIKeyICBPXBHYWVUMOH-IZZDOVSWSA-N
MW354.84 g/mol
LogP3.96
Rot. Bonds4

About 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one

4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 175672912) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID175672912
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESCc1ccc(/C=C/C2=C(CO)C(c3ccc(Cl)cc3)NC(=O)N2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13-2-4-14(5-3-13)6-11-18-17(12-24)19(23-20(25)22-18)15-7-9-16(21)10-8-15/h2-11,19,24H,12H2,1H3,(H2,22,23,25)/b11-6+
InChIKeyICBPXBHYWVUMOH-IZZDOVSWSA-N
XLogP3.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 175672912) is 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one is Cc1ccc(/C=C/C2=C(CO)C(c3ccc(Cl)cc3)NC(=O)N2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ICBPXBHYWVUMOH-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-2-4-14(5-3-13)6-11-18-17(12-24)19(23-20(25)22-18)15-7-9-16(21)10-8-15/h2-11,19,24H,12H2,1H3,(H2,22,23,25)/b11-6+.
What are the key properties of 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 354.84 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(hydroxymethyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 175672912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).