methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate

C12H17N3O4 — CID 122140004

IUPACmethyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(c2nccc(OC)n2)C[C@@H](C)O1
InChIInChI=1S/C12H17N3O4/c1-8-6-15(7-9(19-8)11(16)18-3)12-13-5-4-10(14-12)17-2/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDBFRXFUIZBUXOS-RKDXNWHRSA-N
MW267.28 g/mol
LogP0.25
Rot. Bonds3

About methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate

methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate (PubChem CID 122140004) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate
PubChem CID122140004
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(c2nccc(OC)n2)C[C@@H](C)O1
InChIInChI=1S/C12H17N3O4/c1-8-6-15(7-9(19-8)11(16)18-3)12-13-5-4-10(14-12)17-2/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDBFRXFUIZBUXOS-RKDXNWHRSA-N
XLogP0.25
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate (CID 122140004) is methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate is COC(=O)[C@H]1CN(c2nccc(OC)n2)C[C@@H](C)O1.
What is the InChIKey of methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate?
The InChIKey is DBFRXFUIZBUXOS-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-15(7-9(19-8)11(16)18-3)12-13-5-4-10(14-12)17-2/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate?
methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 122140004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).