6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C13H20N4O2 — CID 86797798

IUPAC6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCCOc1cc(N2CC3OCCN(C)C3C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-3-18-13-6-12(14-9-15-13)17-7-10-11(8-17)19-5-4-16(10)2/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyJVWORGLHWKDCDP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.39
Rot. Bonds3

About 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 86797798) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID86797798
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCCOc1cc(N2CC3OCCN(C)C3C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-3-18-13-6-12(14-9-15-13)17-7-10-11(8-17)19-5-4-16(10)2/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyJVWORGLHWKDCDP-UHFFFAOYSA-N
XLogP0.39
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 86797798) is 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is CCOc1cc(N2CC3OCCN(C)C3C2)ncn1.
What is the InChIKey of 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is JVWORGLHWKDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-18-13-6-12(14-9-15-13)17-7-10-11(8-17)19-5-4-16(10)2/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 264.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 86797798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).