methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate

C18H22N4O3 — CID 133379732

IUPACmethyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(-c3cccnc3)nc(C)c2C)C[C@@H](C)O1
InChIInChI=1S/C18H22N4O3/c1-11-9-22(10-15(25-11)18(23)24-4)17-12(2)13(3)20-16(21-17)14-6-5-7-19-8-14/h5-8,11,15H,9-10H2,1-4H3/t11-,15?/m1/s1
InChIKeyQGACUADRTKNUNU-ZRKZCGFPSA-N
MW342.40 g/mol
LogP1.92
Rot. Bonds3

About methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate

methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate (PubChem CID 133379732) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate
PubChem CID133379732
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(-c3cccnc3)nc(C)c2C)C[C@@H](C)O1
InChIInChI=1S/C18H22N4O3/c1-11-9-22(10-15(25-11)18(23)24-4)17-12(2)13(3)20-16(21-17)14-6-5-7-19-8-14/h5-8,11,15H,9-10H2,1-4H3/t11-,15?/m1/s1
InChIKeyQGACUADRTKNUNU-ZRKZCGFPSA-N
XLogP1.92
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate (CID 133379732) is methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate is COC(=O)C1CN(c2nc(-c3cccnc3)nc(C)c2C)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate?
The InChIKey is QGACUADRTKNUNU-ZRKZCGFPSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-9-22(10-15(25-11)18(23)24-4)17-12(2)13(3)20-16(21-17)14-6-5-7-19-8-14/h5-8,11,15H,9-10H2,1-4H3/t11-,15?/m1/s1.
What are the key properties of methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate?
methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 133379732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).