4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine

C13H15BrN6O — CID 80870669

IUPAC4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H15BrN6O/c14-9-6-10(8-16-7-9)21-13-18-11(15)17-12(19-13)20-4-2-1-3-5-20/h6-8H,1-5H2,(H2,15,17,18,19)
InChIKeyXQVBYQAKXDUGAJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.39
Rot. Bonds3

About 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80870669) has the molecular formula C13H15BrN6O and a molecular weight of 351.21 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80870669
Molecular FormulaC13H15BrN6O
Molecular Weight351.21 g/mol
Exact Mass350.05
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H15BrN6O/c14-9-6-10(8-16-7-9)21-13-18-11(15)17-12(19-13)20-4-2-1-3-5-20/h6-8H,1-5H2,(H2,15,17,18,19)
InChIKeyXQVBYQAKXDUGAJ-UHFFFAOYSA-N
XLogP2.39
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80870564
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80859993
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 81341218
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
4-(2,4-dimethylphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866417
4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80864921
4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
4-(3-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80865052
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867785
4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80866604

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80870669) is 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2cncc(Br)c2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XQVBYQAKXDUGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN6O/c14-9-6-10(8-16-7-9)21-13-18-11(15)17-12(19-13)20-4-2-1-3-5-20/h6-8H,1-5H2,(H2,15,17,18,19).
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 351.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).