2,4,6-triphenyl-1,2-dihydropyrimidine

C22H18N2 — CID 90270380

IUPAC2,4,6-triphenyl-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C22H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16,22-23H
InChIKeyYXIQMDUDDGJCAG-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.82
Rot. Bonds3

About 2,4,6-triphenyl-1,2-dihydropyrimidine

2,4,6-triphenyl-1,2-dihydropyrimidine (PubChem CID 90270380) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,4,6-triphenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2,4,6-triphenyl-1,2-dihydropyrimidine
PubChem CID90270380
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2,4,6-triphenyl-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C22H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16,22-23H
InChIKeyYXIQMDUDDGJCAG-UHFFFAOYSA-N
XLogP4.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-1,2-dihydropyrimidine?
The IUPAC name of 2,4,6-triphenyl-1,2-dihydropyrimidine (CID 90270380) is 2,4,6-triphenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 2,4,6-triphenyl-1,2-dihydropyrimidine?
The canonical SMILES for 2,4,6-triphenyl-1,2-dihydropyrimidine is C1=C(c2ccccc2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 2,4,6-triphenyl-1,2-dihydropyrimidine?
The InChIKey is YXIQMDUDDGJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16,22-23H.
What are the key properties of 2,4,6-triphenyl-1,2-dihydropyrimidine?
2,4,6-triphenyl-1,2-dihydropyrimidine has a molecular weight of 310.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 90270380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).