2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine

C27H18Br2N2 — CID 67984515

IUPAC2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(Br)cc(Br)c3)n2)cc1
InChIInChI=1S/C27H18Br2N2/c1-17-6-8-19(9-7-17)25-16-26(21-11-10-18-4-2-3-5-20(18)12-21)31-27(30-25)22-13-23(28)15-24(29)14-22/h2-16H,1H3
InChIKeyGHVOJIDMPHEVJH-UHFFFAOYSA-N
MW530.26 g/mol
LogP8.46
Rot. Bonds3

About 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine

2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine (PubChem CID 67984515) has the molecular formula C27H18Br2N2 and a molecular weight of 530.26 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine
PubChem CID67984515
Molecular FormulaC27H18Br2N2
Molecular Weight530.26 g/mol
Exact Mass527.98
IUPAC Name2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(Br)cc(Br)c3)n2)cc1
InChIInChI=1S/C27H18Br2N2/c1-17-6-8-19(9-7-17)25-16-26(21-11-10-18-4-2-3-5-20(18)12-21)31-27(30-25)22-13-23(28)15-24(29)14-22/h2-16H,1H3
InChIKeyGHVOJIDMPHEVJH-UHFFFAOYSA-N
XLogP8.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.26
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine (CID 67984515) is 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine is Cc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3cc(Br)cc(Br)c3)n2)cc1.
What is the InChIKey of 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine?
The InChIKey is GHVOJIDMPHEVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Br2N2/c1-17-6-8-19(9-7-17)25-16-26(21-11-10-18-4-2-3-5-20(18)12-21)31-27(30-25)22-13-23(28)15-24(29)14-22/h2-16H,1H3.
What are the key properties of 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine?
2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine has a molecular weight of 530.26 g/mol, XLogP of 8.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-4-(4-methylphenyl)-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 67984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).