[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

C15H24N4O3 — CID 164631378

IUPAC[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESCCOc1cc(N2CCN3CCOC[C@]3(CO)C2)nc(C)n1
InChIInChI=1S/C15H24N4O3/c1-3-22-14-8-13(16-12(2)17-14)18-4-5-19-6-7-21-11-15(19,9-18)10-20/h8,20H,3-7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyVXQPOXDQKWRFGA-OAHLLOKOSA-N
MW308.38 g/mol
LogP0.07
Rot. Bonds4

About [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (PubChem CID 164631378) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.

Molecular Properties

Compound Name[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
PubChem CID164631378
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESCCOc1cc(N2CCN3CCOC[C@]3(CO)C2)nc(C)n1
InChIInChI=1S/C15H24N4O3/c1-3-22-14-8-13(16-12(2)17-14)18-4-5-19-6-7-21-11-15(19,9-18)10-20/h8,20H,3-7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyVXQPOXDQKWRFGA-OAHLLOKOSA-N
XLogP0.07
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The IUPAC name of [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (CID 164631378) is [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.
What is the SMILES notation for [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The canonical SMILES for [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is CCOc1cc(N2CCN3CCOC[C@]3(CO)C2)nc(C)n1.
What is the InChIKey of [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The InChIKey is VXQPOXDQKWRFGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-22-14-8-13(16-12(2)17-14)18-4-5-19-6-7-21-11-15(19,9-18)10-20/h8,20H,3-7,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol has a molecular weight of 308.38 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is sourced from PubChem (CID 164631378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).