3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine

C13H20N4O2 — CID 104515867

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)C1CN2CCCC2CO1
InChIInChI=1S/C13H20N4O2/c1-18-13-12(15-4-5-16-13)11(14)10-7-17-6-2-3-9(17)8-19-10/h4-5,9-11H,2-3,6-8,14H2,1H3
InChIKeyKQVSJKKMHPJMDQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.35
Rot. Bonds3

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 104515867) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine
PubChem CID104515867
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1nccnc1C(N)C1CN2CCCC2CO1
InChIInChI=1S/C13H20N4O2/c1-18-13-12(15-4-5-16-13)11(14)10-7-17-6-2-3-9(17)8-19-10/h4-5,9-11H,2-3,6-8,14H2,1H3
InChIKeyKQVSJKKMHPJMDQ-UHFFFAOYSA-N
XLogP0.35
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 79089404
3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine
CID 79088765
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,3,4-trifluorophenyl)methanamine
CID 79088216
(1S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propan-1-amine
CID 104932294
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(thiophen-3-yl)methanamine
CID 79088210
3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 166052331
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79740055
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 114657291
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 79095648
4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79088315
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine (CID 104515867) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine is COc1nccnc1C(N)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is KQVSJKKMHPJMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-18-13-12(15-4-5-16-13)11(14)10-7-17-6-2-3-9(17)8-19-10/h4-5,9-11H,2-3,6-8,14H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 264.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 104515867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).