2-bromo-4-naphthalen-1-ylpyrimidine

C14H9BrN2 — CID 91926173

IUPAC2-bromo-4-naphthalen-1-ylpyrimidine
SMILESBrc1nccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C14H9BrN2/c15-14-16-9-8-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyMLNBEZHUMOXSHA-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.06
Rot. Bonds1

About 2-bromo-4-naphthalen-1-ylpyrimidine

2-bromo-4-naphthalen-1-ylpyrimidine (PubChem CID 91926173) has the molecular formula C14H9BrN2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-bromo-4-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-naphthalen-1-ylpyrimidine
PubChem CID91926173
Molecular FormulaC14H9BrN2
Molecular Weight285.14 g/mol
Exact Mass283.99
IUPAC Name2-bromo-4-naphthalen-1-ylpyrimidine
SMILESBrc1nccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C14H9BrN2/c15-14-16-9-8-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyMLNBEZHUMOXSHA-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromopyrimidin-4-yl)phenol
CID 136967154
2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
CID 116902289
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
2-naphthalen-1-ylpyridine;quinoxaline
CID 174357892
N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine
CID 69205352
2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
CID 56691173

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-naphthalen-1-ylpyrimidine?
The IUPAC name of 2-bromo-4-naphthalen-1-ylpyrimidine (CID 91926173) is 2-bromo-4-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-bromo-4-naphthalen-1-ylpyrimidine?
The canonical SMILES for 2-bromo-4-naphthalen-1-ylpyrimidine is Brc1nccc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-bromo-4-naphthalen-1-ylpyrimidine?
The InChIKey is MLNBEZHUMOXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2/c15-14-16-9-8-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H.
What are the key properties of 2-bromo-4-naphthalen-1-ylpyrimidine?
2-bromo-4-naphthalen-1-ylpyrimidine has a molecular weight of 285.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 91926173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).