4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine

C27H20N4 — CID 12537657

IUPAC4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine
SMILESCc1nc(-c2ccccc2)ncc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H20N4/c1-19-23(18-28-26(29-19)21-13-7-3-8-14-21)25-17-24(20-11-5-2-6-12-20)30-27(31-25)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyAEUTUJMXQIHVGD-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.24
Rot. Bonds4

About 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine

4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine (PubChem CID 12537657) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine
PubChem CID12537657
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine
SMILESCc1nc(-c2ccccc2)ncc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H20N4/c1-19-23(18-28-26(29-19)21-13-7-3-8-14-21)25-17-24(20-11-5-2-6-12-20)30-27(31-25)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyAEUTUJMXQIHVGD-UHFFFAOYSA-N
XLogP6.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 135247397
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine (CID 12537657) is 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine is Cc1nc(-c2ccccc2)ncc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine?
The InChIKey is AEUTUJMXQIHVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c1-19-23(18-28-26(29-19)21-13-7-3-8-14-21)25-17-24(20-11-5-2-6-12-20)30-27(31-25)22-15-9-4-10-16-22/h2-18H,1H3.
What are the key properties of 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine?
4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine has a molecular weight of 400.49 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 12537657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).