2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one

C12H19N3O3 — CID 79376396

IUPAC2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CN(C)CCO1
InChIInChI=1S/C12H19N3O3/c1-9-6-11(16)15(12(13-9)17-3)8-10-7-14(2)4-5-18-10/h6,10H,4-5,7-8H2,1-3H3
InChIKeyWGYLVSMMTXBTSL-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.11
Rot. Bonds3

About 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 79376396) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID79376396
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CN(C)CCO1
InChIInChI=1S/C12H19N3O3/c1-9-6-11(16)15(12(13-9)17-3)8-10-7-14(2)4-5-18-10/h6,10H,4-5,7-8H2,1-3H3
InChIKeyWGYLVSMMTXBTSL-UHFFFAOYSA-N
XLogP-0.11
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 79376396) is 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CN(C)CCO1.
What is the InChIKey of 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is WGYLVSMMTXBTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-6-11(16)15(12(13-9)17-3)8-10-7-14(2)4-5-18-10/h6,10H,4-5,7-8H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 253.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 79376396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).