2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine

C31H34N2 — CID 58604236

IUPAC2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(C)c(C)c3C)nc(-c3ccc(C)c(C)c3C)n2)c(C)c1C
InChIInChI=1S/C31H34N2/c1-17-10-13-26(23(7)20(17)4)29-16-30(27-14-11-18(2)21(5)24(27)8)33-31(32-29)28-15-12-19(3)22(6)25(28)9/h10-16H,1-9H3
InChIKeyNAWIPEBETQOAKX-UHFFFAOYSA-N
MW434.63 g/mol
LogP8.25
Rot. Bonds3

About 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine

2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine (PubChem CID 58604236) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine
PubChem CID58604236
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(C)c(C)c3C)nc(-c3ccc(C)c(C)c3C)n2)c(C)c1C
InChIInChI=1S/C31H34N2/c1-17-10-13-26(23(7)20(17)4)29-16-30(27-14-11-18(2)21(5)24(27)8)33-31(32-29)28-15-12-19(3)22(6)25(28)9/h10-16H,1-9H3
InChIKeyNAWIPEBETQOAKX-UHFFFAOYSA-N
XLogP8.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine?
The IUPAC name of 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine (CID 58604236) is 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine.
What is the SMILES notation for 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine?
The canonical SMILES for 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine is Cc1ccc(-c2cc(-c3ccc(C)c(C)c3C)nc(-c3ccc(C)c(C)c3C)n2)c(C)c1C.
What is the InChIKey of 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine?
The InChIKey is NAWIPEBETQOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-17-10-13-26(23(7)20(17)4)29-16-30(27-14-11-18(2)21(5)24(27)8)33-31(32-29)28-15-12-19(3)22(6)25(28)9/h10-16H,1-9H3.
What are the key properties of 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine?
2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine has a molecular weight of 434.63 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine is sourced from PubChem (CID 58604236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).