4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine

C37H30N2O — CID 163109835

IUPAC4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine
SMILESCOc1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1cc(CCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C37H30N2O/c1-40-36-26-33(29-18-10-4-11-19-29)32(28-16-8-3-9-17-28)25-34(36)35-24-31(23-22-27-14-6-2-7-15-27)38-37(39-35)30-20-12-5-13-21-30/h2-21,24-26H,22-23H2,1H3
InChIKeyISKMZYHHBSDTJB-UHFFFAOYSA-N
MW518.66 g/mol
LogP8.94
Rot. Bonds8

About 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine

4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine (PubChem CID 163109835) has the molecular formula C37H30N2O and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine
PubChem CID163109835
Molecular FormulaC37H30N2O
Molecular Weight518.66 g/mol
Exact Mass518.24
IUPAC Name4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine
SMILESCOc1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1cc(CCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C37H30N2O/c1-40-36-26-33(29-18-10-4-11-19-29)32(28-16-8-3-9-17-28)25-34(36)35-24-31(23-22-27-14-6-2-7-15-27)38-37(39-35)30-20-12-5-13-21-30/h2-21,24-26H,22-23H2,1H3
InChIKeyISKMZYHHBSDTJB-UHFFFAOYSA-N
XLogP8.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-Ethoxynaphthalen-1-Yl)-6-Methylquinazoline-2,4-Diamine
CID 53346511
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
2,4-Diamino-5-[3-(3-methoxy-4-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
CID 25093367
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
4,6-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 21812434
3-(4-Methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
CID 24951690
4-(4-Methoxy-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile
CID 49862472
4-Cyclohexyl-6-methoxy-2-(4-methoxy-phenyl)-quinazoline
CID 23640944
5-[(3R)-3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 45481954
5-[(3S)-3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 45481957
4-Propyl-6-(4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 49862474
4-(4-Methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-amine
CID 60200435

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine?
The IUPAC name of 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine (CID 163109835) is 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine is COc1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1cc(CCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine?
The InChIKey is ISKMZYHHBSDTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2O/c1-40-36-26-33(29-18-10-4-11-19-29)32(28-16-8-3-9-17-28)25-34(36)35-24-31(23-22-27-14-6-2-7-15-27)38-37(39-35)30-20-12-5-13-21-30/h2-21,24-26H,22-23H2,1H3.
What are the key properties of 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine?
4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine has a molecular weight of 518.66 g/mol, XLogP of 8.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,5-diphenylphenyl)-2-phenyl-6-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 163109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).