3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione

C20H18N2O2 — CID 71525096

IUPAC3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-19-13-15-21(14-7-12-17-8-3-1-4-9-17)20(24)22(19)16-18-10-5-2-6-11-18/h1-13,15H,14,16H2/b12-7+
InChIKeyBCRLHAKVXNWPJC-KPKJPENVSA-N
MW318.38 g/mol
LogP2.77
Rot. Bonds5

About 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione

3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione (PubChem CID 71525096) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
PubChem CID71525096
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-19-13-15-21(14-7-12-17-8-3-1-4-9-17)20(24)22(19)16-18-10-5-2-6-11-18/h1-13,15H,14,16H2/b12-7+
InChIKeyBCRLHAKVXNWPJC-KPKJPENVSA-N
XLogP2.77
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione (CID 71525096) is 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione is O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The InChIKey is BCRLHAKVXNWPJC-KPKJPENVSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-13-15-21(14-7-12-17-8-3-1-4-9-17)20(24)22(19)16-18-10-5-2-6-11-18/h1-13,15H,14,16H2/b12-7+.
What are the key properties of 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione has a molecular weight of 318.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71525096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).