4-(1-bromonaphthalen-2-yl)oxypyrimidine

C14H9BrN2O — CID 61252042

IUPAC4-(1-bromonaphthalen-2-yl)oxypyrimidine
SMILESBrc1c(Oc2ccncn2)ccc2ccccc12
InChIInChI=1S/C14H9BrN2O/c15-14-11-4-2-1-3-10(11)5-6-12(14)18-13-7-8-16-9-17-13/h1-9H
InChIKeyXFQYZSJRFOMPCD-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.18
Rot. Bonds2

About 4-(1-bromonaphthalen-2-yl)oxypyrimidine

4-(1-bromonaphthalen-2-yl)oxypyrimidine (PubChem CID 61252042) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(1-bromonaphthalen-2-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-bromonaphthalen-2-yl)oxypyrimidine
PubChem CID61252042
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name4-(1-bromonaphthalen-2-yl)oxypyrimidine
SMILESBrc1c(Oc2ccncn2)ccc2ccccc12
InChIInChI=1S/C14H9BrN2O/c15-14-11-4-2-1-3-10(11)5-6-12(14)18-13-7-8-16-9-17-13/h1-9H
InChIKeyXFQYZSJRFOMPCD-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
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3-(1-bromonaphthalen-2-yl)oxy-6-(chloromethyl)pyridazine
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3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
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4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
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3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
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2-(1-bromonaphthalen-2-yl)oxy-5-nitropyrimidine
CID 61147517
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
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3-(1-bromonaphthalen-2-yl)oxy-2,1-benzothiazole
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2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromonaphthalen-2-yl)oxypyrimidine?
The IUPAC name of 4-(1-bromonaphthalen-2-yl)oxypyrimidine (CID 61252042) is 4-(1-bromonaphthalen-2-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-bromonaphthalen-2-yl)oxypyrimidine?
The canonical SMILES for 4-(1-bromonaphthalen-2-yl)oxypyrimidine is Brc1c(Oc2ccncn2)ccc2ccccc12.
What is the InChIKey of 4-(1-bromonaphthalen-2-yl)oxypyrimidine?
The InChIKey is XFQYZSJRFOMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-14-11-4-2-1-3-10(11)5-6-12(14)18-13-7-8-16-9-17-13/h1-9H.
What are the key properties of 4-(1-bromonaphthalen-2-yl)oxypyrimidine?
4-(1-bromonaphthalen-2-yl)oxypyrimidine has a molecular weight of 301.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromonaphthalen-2-yl)oxypyrimidine is sourced from PubChem (CID 61252042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).