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

C12H13BrN6O2 — CID 80870564

IUPAC4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H13BrN6O2/c13-8-5-9(7-15-6-8)21-12-17-10(14)16-11(18-12)19-1-3-20-4-2-19/h5-7H,1-4H2,(H2,14,16,17,18)
InChIKeyAWRXXSFVKYGSGU-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.24
Rot. Bonds3

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

4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80870564) has the molecular formula C12H13BrN6O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80870564
Molecular FormulaC12H13BrN6O2
Molecular Weight353.18 g/mol
Exact Mass352.03
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2cncc(Br)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H13BrN6O2/c13-8-5-9(7-15-6-8)21-12-17-10(14)16-11(18-12)19-1-3-20-4-2-19/h5-7H,1-4H2,(H2,14,16,17,18)
InChIKeyAWRXXSFVKYGSGU-UHFFFAOYSA-N
XLogP1.24
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

5-bromo-3-ethoxy-N-(6-methylpyridin-2-yl)pyridin-2-amine
CID 11415580
7-Bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 24229635
7-bromo-2-methyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 83823744
5-Bromo-2-(pyridin-3-yl oxy)-pyrimidine
CID 4279430
5-bromo-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
CID 71874714
2-[(3S)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-4-methylpyrimidine
CID 125424012
3-bromo-5-methoxy-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 164629876
3-Bromo-5-[(5-fluoro-3-pyridinyl)oxy]pyridin-2-amine
CID 118103855
N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
CID 118103858
N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
CID 123213449
2-[4-[(6-Bromo-5-fluoro-3-pyridinyl)oxymethyl]piperidin-1-yl]-5-ethylpyrimidine
CID 142418594
5-Bromo-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)pyridin-2-amine
CID 160589371

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80870564) is 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(Oc2cncc(Br)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is AWRXXSFVKYGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6O2/c13-8-5-9(7-15-6-8)21-12-17-10(14)16-11(18-12)19-1-3-20-4-2-19/h5-7H,1-4H2,(H2,14,16,17,18).
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 353.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).