6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione

C21H18N2O4 — CID 6226250

IUPAC6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione
SMILESO=C(/C=C/c1ccccc1)c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H18N2O4/c24-17(12-11-15-7-3-1-4-8-15)18-19(25)22-21(27)23(20(18)26)14-13-16-9-5-2-6-10-16/h1-12,26H,13-14H2,(H,22,25,27)/b12-11+
InChIKeyCSBSHYGXIRBRKE-VAWYXSNFSA-N
MW362.39 g/mol
LogP2.38
Rot. Bonds6

About 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione

6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione (PubChem CID 6226250) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione
PubChem CID6226250
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione
SMILESO=C(/C=C/c1ccccc1)c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H18N2O4/c24-17(12-11-15-7-3-1-4-8-15)18-19(25)22-21(27)23(20(18)26)14-13-16-9-5-2-6-10-16/h1-12,26H,13-14H2,(H,22,25,27)/b12-11+
InChIKeyCSBSHYGXIRBRKE-VAWYXSNFSA-N
XLogP2.38
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-1,3-dimethyl-5-(phenylcarbonyl)pyrimidine-2,4(1H,3H)-dione
CID 910752
5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
CID 3334243
6-Benzyl-1-butyl-5-ethyluracil
CID 460917
(5E)-1-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1325215
1-[2-(4-fluorophenyl)ethyl]-5-(3-phenyl-2-propen-1-ylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1325216
7-amino-1-benzyl-3-ethyl-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 2363691
5-Phenyl-1-(3-phenylpropyl)pyrimidine-2,4-dione
CID 267837
1,5-Dibenzylpyrimidine-2,4(1H,3H)-dione
CID 308735
6-amino-1-methyl-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione
CID 5995576
(E)-1-benzyl-5-((E)-3-phenylallylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2288294
5-acetyl-6-amino-1-benzylpyrimidine-2,4(1H,3H)-dione
CID 2378521
6-Amino-5-[2-(dibenzylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 8159770

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione (CID 6226250) is 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione is O=C(/C=C/c1ccccc1)c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione?
The InChIKey is CSBSHYGXIRBRKE-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-17(12-11-15-7-3-1-4-8-15)18-19(25)22-21(27)23(20(18)26)14-13-16-9-5-2-6-10-16/h1-12,26H,13-14H2,(H,22,25,27)/b12-11+.
What are the key properties of 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione?
6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6226250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).