3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione

C20H16Cl2N2O2 — CID 71525135

IUPAC3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16Cl2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+
InChIKeyMXPSXHLEQKWUIU-QPJJXVBHSA-N
MW387.27 g/mol
LogP4.08
Rot. Bonds5

About 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione

3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione (PubChem CID 71525135) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
PubChem CID71525135
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16Cl2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+
InChIKeyMXPSXHLEQKWUIU-QPJJXVBHSA-N
XLogP4.08
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione (CID 71525135) is 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione is O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The InChIKey is MXPSXHLEQKWUIU-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c21-17-11-16(12-18(22)13-17)14-24-19(25)8-10-23(20(24)26)9-4-7-15-5-2-1-3-6-15/h1-8,10-13H,9,14H2/b7-4+.
What are the key properties of 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione has a molecular weight of 387.27 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71525135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).