4-methyl-1,2,5-triphenyl-2H-pyrimidine

C23H20N2 — CID 12684079

IUPAC4-methyl-1,2,5-triphenyl-2H-pyrimidine
SMILESCC1=NC(c2ccccc2)N(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C23H20N2/c1-18-22(19-11-5-2-6-12-19)17-25(21-15-9-4-10-16-21)23(24-18)20-13-7-3-8-14-20/h2-17,23H,1H3
InChIKeyXBQYWGSAPUWNQO-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.71
Rot. Bonds3

About 4-methyl-1,2,5-triphenyl-2H-pyrimidine

4-methyl-1,2,5-triphenyl-2H-pyrimidine (PubChem CID 12684079) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-1,2,5-triphenyl-2H-pyrimidine.

Molecular Properties

Compound Name4-methyl-1,2,5-triphenyl-2H-pyrimidine
PubChem CID12684079
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4-methyl-1,2,5-triphenyl-2H-pyrimidine
SMILESCC1=NC(c2ccccc2)N(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C23H20N2/c1-18-22(19-11-5-2-6-12-19)17-25(21-15-9-4-10-16-21)23(24-18)20-13-7-3-8-14-20/h2-17,23H,1H3
InChIKeyXBQYWGSAPUWNQO-UHFFFAOYSA-N
XLogP5.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole
CID 23272349
4-methyl-5-(4-methylphenyl)-2,3-diphenyl-2,4-dihydroimidazole
CID 157432449
1-(2,4,5-triphenyl-2,4-dihydroimidazol-3-yl)ethanone
CID 54400884
2,3-bis(4-methylphenyl)-5-phenyl-2,4-dihydroimidazole
CID 101391310
1-methylsulfanyl-3-phenylpyrrole-2,5-dione
CID 175183313
(2S,5S,6R)-2,4,6-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7230464
methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
CID 102163215
5-(4-chlorophenyl)-4-methyl-2,3-diphenyl-2,4-dihydroimidazole
CID 142423471
2-methyl-1,4-diphenyl-4,5-dihydroimidazole
CID 101472068
2-methyl-1,4-diphenyl-2H-pyrrol-5-one
CID 174901051
1,2,4,5-tetraphenylazaborinine
CID 67424777
(4-hydroxy-6-oxo-1,2-diphenylpyrimidin-5-yl)-phenyliodanium
CID 135746903

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,5-triphenyl-2H-pyrimidine?
The IUPAC name of 4-methyl-1,2,5-triphenyl-2H-pyrimidine (CID 12684079) is 4-methyl-1,2,5-triphenyl-2H-pyrimidine.
What is the SMILES notation for 4-methyl-1,2,5-triphenyl-2H-pyrimidine?
The canonical SMILES for 4-methyl-1,2,5-triphenyl-2H-pyrimidine is CC1=NC(c2ccccc2)N(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 4-methyl-1,2,5-triphenyl-2H-pyrimidine?
The InChIKey is XBQYWGSAPUWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-18-22(19-11-5-2-6-12-19)17-25(21-15-9-4-10-16-21)23(24-18)20-13-7-3-8-14-20/h2-17,23H,1H3.
What are the key properties of 4-methyl-1,2,5-triphenyl-2H-pyrimidine?
4-methyl-1,2,5-triphenyl-2H-pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,5-triphenyl-2H-pyrimidine is sourced from PubChem (CID 12684079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).