5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine

C14H13BrN2O — CID 133342648

IUPAC5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
SMILESBrc1cnc(Oc2cccc3c2CCCC3)nc1
InChIInChI=1S/C14H13BrN2O/c15-11-8-16-14(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-9H,1-2,4,6H2
InChIKeyZZBFAQAVZXLOBF-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine

5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine (PubChem CID 133342648) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
PubChem CID133342648
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
SMILESBrc1cnc(Oc2cccc3c2CCCC3)nc1
InChIInChI=1S/C14H13BrN2O/c15-11-8-16-14(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-9H,1-2,4,6H2
InChIKeyZZBFAQAVZXLOBF-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine
CID 133342660
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 133342645
2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-5-amine
CID 82299255
4-(2-bromo-5-chlorophenoxy)-2,3-dihydro-1H-indene
CID 171750794
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
CID 56658958
3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
CID 13246032
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087
1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 82304855

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
The IUPAC name of 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine (CID 133342648) is 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine is Brc1cnc(Oc2cccc3c2CCCC3)nc1.
What is the InChIKey of 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
The InChIKey is ZZBFAQAVZXLOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-11-8-16-14(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7-9H,1-2,4,6H2.
What are the key properties of 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine?
5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine has a molecular weight of 305.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrimidine is sourced from PubChem (CID 133342648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).