4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine

C15H10BrClN2O — CID 63735544

IUPAC4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H10BrClN2O/c1-9-14(17)18-8-19-15(9)20-12-7-6-10-4-2-3-5-11(10)13(12)16/h2-8H,1H3
InChIKeyOIJDVVKRRSDNEX-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.15
Rot. Bonds2

About 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine

4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine (PubChem CID 63735544) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
PubChem CID63735544
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H10BrClN2O/c1-9-14(17)18-8-19-15(9)20-12-7-6-10-4-2-3-5-11(10)13(12)16/h2-8H,1H3
InChIKeyOIJDVVKRRSDNEX-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
[2-(6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 55229285
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63734175
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
CID 80637587
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
CID 62672685
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
2-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 63734333
4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80867027

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine?
The IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine (CID 63735544) is 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine is Cc1c(Cl)ncnc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine?
The InChIKey is OIJDVVKRRSDNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-14(17)18-8-19-15(9)20-12-7-6-10-4-2-3-5-11(10)13(12)16/h2-8H,1H3.
What are the key properties of 4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine?
4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine has a molecular weight of 349.62 g/mol, XLogP of 5.15, 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)oxy-6-chloro-5-methylpyrimidine is sourced from PubChem (CID 63735544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).