1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione

C31H26GeN2O2 — CID 71722279

IUPAC1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1/C=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26GeN2O2/c35-30-26(24-34(31(36)33-30)23-25-13-5-1-6-14-25)21-22-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,24H,23H2,(H,33,35,36)/b22-21+
InChIKeyJQPNDDLLEXSKOH-QURGRASLSA-N
MW531.17 g/mol
LogP3.31
Rot. Bonds7

About 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione

1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione (PubChem CID 71722279) has the molecular formula C31H26GeN2O2 and a molecular weight of 531.17 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione
PubChem CID71722279
Molecular FormulaC31H26GeN2O2
Molecular Weight531.17 g/mol
Exact Mass532.12
IUPAC Name1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1/C=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26GeN2O2/c35-30-26(24-34(31(36)33-30)23-25-13-5-1-6-14-25)21-22-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,24H,23H2,(H,33,35,36)/b22-21+
InChIKeyJQPNDDLLEXSKOH-QURGRASLSA-N
XLogP3.31
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione (CID 71722279) is 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)cc1/C=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione?
The InChIKey is JQPNDDLLEXSKOH-QURGRASLSA-N. The full InChI is InChI=1S/C31H26GeN2O2/c35-30-26(24-34(31(36)33-30)23-25-13-5-1-6-14-25)21-22-32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,24H,23H2,(H,33,35,36)/b22-21+.
What are the key properties of 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione?
1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione has a molecular weight of 531.17 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-2-triphenylgermylethenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71722279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).