4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine

C22H20N2 — CID 123712409

IUPAC4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine
SMILESc1ccc(C2=NCNC(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2
InChIKeyGFVLMRXTKGVQFS-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.56
Rot. Bonds3

About 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine

4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine (PubChem CID 123712409) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine
PubChem CID123712409
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine
SMILESc1ccc(C2=NCNC(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2
InChIKeyGFVLMRXTKGVQFS-UHFFFAOYSA-N
XLogP4.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine?
The IUPAC name of 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine (CID 123712409) is 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine.
What is the SMILES notation for 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine?
The canonical SMILES for 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine is c1ccc(C2=NCNC(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine?
The InChIKey is GFVLMRXTKGVQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23-16-24-22(20)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2.
What are the key properties of 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine?
4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine has a molecular weight of 312.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-triphenyl-1,2,5,6-tetrahydropyrimidine is sourced from PubChem (CID 123712409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).