(4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C15H24N4O2 — CID 154823296

IUPAC(4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCCC[C@H]1COC[C@H]2CN(c3ncc(OC)cn3)CCN12
InChIInChI=1S/C15H24N4O2/c1-3-4-12-10-21-11-13-9-18(5-6-19(12)13)15-16-7-14(20-2)8-17-15/h7-8,12-13H,3-6,9-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyYDSUFJMAAILIOI-QWHCGFSZSA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds4

About (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

(4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 154823296) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID154823296
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCCC[C@H]1COC[C@H]2CN(c3ncc(OC)cn3)CCN12
InChIInChI=1S/C15H24N4O2/c1-3-4-12-10-21-11-13-9-18(5-6-19(12)13)15-16-7-14(20-2)8-17-15/h7-8,12-13H,3-6,9-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyYDSUFJMAAILIOI-QWHCGFSZSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 154823296) is (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is CCC[C@H]1COC[C@H]2CN(c3ncc(OC)cn3)CCN12.
What is the InChIKey of (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is YDSUFJMAAILIOI-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-12-10-21-11-13-9-18(5-6-19(12)13)15-16-7-14(20-2)8-17-15/h7-8,12-13H,3-6,9-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 292.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-8-(5-methoxypyrimidin-2-yl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 154823296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).