4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

C26H22N2O4 — CID 51348811

IUPAC4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)c1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc(C(C)=O)c1O
InChIInChI=1S/C26H22N2O4/c1-15(29)20-13-19(14-21(16(2)30)25(20)31)24-22(17-9-5-3-6-10-17)23(27-26(32)28-24)18-11-7-4-8-12-18/h3-14,24,31H,1-2H3,(H2,27,28,32)
InChIKeyAPMQJHDWRQZBRJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.72
Rot. Bonds5

About 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 51348811) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID51348811
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)c1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc(C(C)=O)c1O
InChIInChI=1S/C26H22N2O4/c1-15(29)20-13-19(14-21(16(2)30)25(20)31)24-22(17-9-5-3-6-10-17)23(27-26(32)28-24)18-11-7-4-8-12-18/h3-14,24,31H,1-2H3,(H2,27,28,32)
InChIKeyAPMQJHDWRQZBRJ-UHFFFAOYSA-N
XLogP4.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 51348811) is 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)c1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc(C(C)=O)c1O.
What is the InChIKey of 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is APMQJHDWRQZBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-15(29)20-13-19(14-21(16(2)30)25(20)31)24-22(17-9-5-3-6-10-17)23(27-26(32)28-24)18-11-7-4-8-12-18/h3-14,24,31H,1-2H3,(H2,27,28,32).
What are the key properties of 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 426.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diacetyl-4-hydroxyphenyl)-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 51348811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).