4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H14BrN5O — CID 80859993

IUPAC4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccccc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C13H14BrN5O/c14-9-5-1-2-6-10(9)20-13-17-11(15)16-12(18-13)19-7-3-4-8-19/h1-2,5-6H,3-4,7-8H2,(H2,15,16,17,18)
InChIKeyFBQLNDMLEJATLV-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.61
Rot. Bonds3

About 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80859993) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80859993
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccccc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C13H14BrN5O/c14-9-5-1-2-6-10(9)20-13-17-11(15)16-12(18-13)19-7-3-4-8-19/h1-2,5-6H,3-4,7-8H2,(H2,15,16,17,18)
InChIKeyFBQLNDMLEJATLV-UHFFFAOYSA-N
XLogP2.61
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80845958
4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80864921
4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866417
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80870669
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550
2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 64719973
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 81341218
4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883602
2-(2-bromophenoxy)-6-methylpyrimidin-4-amine
CID 90313951
4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
CID 80837205
4-(2,4-dibromophenoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80871198

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80859993) is 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2ccccc2Br)nc(N2CCCC2)n1.
What is the InChIKey of 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FBQLNDMLEJATLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c14-9-5-1-2-6-10(9)20-13-17-11(15)16-12(18-13)19-7-3-4-8-19/h1-2,5-6H,3-4,7-8H2,(H2,15,16,17,18).
What are the key properties of 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 336.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).