4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine

C29H38N2 — CID 175547828

IUPAC4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)nc(C(CC(C)(C)C)CC(C)(C)C)n2)c1
InChIInChI=1S/C29H38N2/c1-20-11-9-13-22(15-20)25-17-26(23-14-10-12-21(2)16-23)31-27(30-25)24(18-28(3,4)5)19-29(6,7)8/h9-17,24H,18-19H2,1-8H3
InChIKeyDEKXUTHCOCOMIJ-UHFFFAOYSA-N
MW414.64 g/mol
LogP8.38
Rot. Bonds5

About 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine

4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine (PubChem CID 175547828) has the molecular formula C29H38N2 and a molecular weight of 414.64 g/mol. Its IUPAC name is 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine
PubChem CID175547828
Molecular FormulaC29H38N2
Molecular Weight414.64 g/mol
Exact Mass414.30
IUPAC Name4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)nc(C(CC(C)(C)C)CC(C)(C)C)n2)c1
InChIInChI=1S/C29H38N2/c1-20-11-9-13-22(15-20)25-17-26(23-14-10-12-21(2)16-23)31-27(30-25)24(18-28(3,4)5)19-29(6,7)8/h9-17,24H,18-19H2,1-8H3
InChIKeyDEKXUTHCOCOMIJ-UHFFFAOYSA-N
XLogP8.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4,6-bis(3-methylphenyl)pyrimidin-2-yl]-2,2,6,6-tetramethylheptan-4-yl]-4,6-bis(3-methylphenyl)pyrimidine
CID 158848037
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
2-(ethylamino)-6-(3-methylphenyl)pyridine-3-carbonitrile
CID 62196307
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
4-(3-methylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 129128235
4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 161052183
[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649130
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine?
The IUPAC name of 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine (CID 175547828) is 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine.
What is the SMILES notation for 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine?
The canonical SMILES for 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine is Cc1cccc(-c2cc(-c3cccc(C)c3)nc(C(CC(C)(C)C)CC(C)(C)C)n2)c1.
What is the InChIKey of 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine?
The InChIKey is DEKXUTHCOCOMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2/c1-20-11-9-13-22(15-20)25-17-26(23-14-10-12-21(2)16-23)31-27(30-25)24(18-28(3,4)5)19-29(6,7)8/h9-17,24H,18-19H2,1-8H3.
What are the key properties of 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine?
4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine has a molecular weight of 414.64 g/mol, XLogP of 8.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine is sourced from PubChem (CID 175547828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).