2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine

C13H19N3O2 — CID 115320628

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(N)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H19N3O2/c1-17-12-6-5-9(14)13(15-12)16-7-8-18-11-4-2-3-10(11)16/h5-6,10-11H,2-4,7-8,14H2,1H3
InChIKeyMGYZHZCVECYTCI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds2

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine (PubChem CID 115320628) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine
PubChem CID115320628
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(N)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H19N3O2/c1-17-12-6-5-9(14)13(15-12)16-7-8-18-11-4-2-3-10(11)16/h5-6,10-11H,2-4,7-8,14H2,1H3
InChIKeyMGYZHZCVECYTCI-UHFFFAOYSA-N
XLogP1.43
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine with MolForge

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Related Compounds

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine
CID 102986147
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromo-4-methylpyridin-3-amine
CID 104506658
2-(3-azabicyclo[3.3.1]nonan-3-yl)-6-methoxypyridin-3-amine
CID 114196245
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromopyrimidin-2-amine
CID 80811772
6-methoxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 115320947
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methylaniline
CID 113333738
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
CID 63678344
4-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 63727983
6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 115320844
1-(3-amino-6-methoxy-2-pyridinyl)pyrrolidine-3,4-diol
CID 106667349
[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 113401820
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-amino-6-methoxyphenyl)methanone
CID 81421142

Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine (CID 115320628) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine is COc1ccc(N)c(N2CCOC3CCCC32)n1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine?
The InChIKey is MGYZHZCVECYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-17-12-6-5-9(14)13(15-12)16-7-8-18-11-4-2-3-10(11)16/h5-6,10-11H,2-4,7-8,14H2,1H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 115320628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).