6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine

C14H14BrN3O — CID 116797621

IUPAC6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(OC2CCCc3ccccc32)n1
InChIInChI=1S/C14H14BrN3O/c15-12-8-13(16)18-14(17-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,16,17,18)
InChIKeyLXEHXBNSQYVYMX-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.28
Rot. Bonds2

About 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine

6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine (PubChem CID 116797621) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
PubChem CID116797621
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(OC2CCCc3ccccc32)n1
InChIInChI=1S/C14H14BrN3O/c15-12-8-13(16)18-14(17-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,16,17,18)
InChIKeyLXEHXBNSQYVYMX-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80859900
5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
CID 103518708
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-4-amine
CID 80654849
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
2-tert-butyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 164708968
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
CID 43166910
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 80938646

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine (CID 116797621) is 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine is Nc1cc(Br)nc(OC2CCCc3ccccc32)n1.
What is the InChIKey of 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
The InChIKey is LXEHXBNSQYVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-8-13(16)18-14(17-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,16,17,18).
What are the key properties of 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine has a molecular weight of 320.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 116797621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).