3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one

C13H21N3O3 — CID 79375352

IUPAC3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCN1CCOC(Cn2c(OC)nc(C)cc2=O)C1
InChIInChI=1S/C13H21N3O3/c1-4-15-5-6-19-11(8-15)9-16-12(17)7-10(2)14-13(16)18-3/h7,11H,4-6,8-9H2,1-3H3
InChIKeyPDNLBHLYLIIRNG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.28
Rot. Bonds4

About 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one

3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79375352) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79375352
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCN1CCOC(Cn2c(OC)nc(C)cc2=O)C1
InChIInChI=1S/C13H21N3O3/c1-4-15-5-6-19-11(8-15)9-16-12(17)7-10(2)14-13(16)18-3/h7,11H,4-6,8-9H2,1-3H3
InChIKeyPDNLBHLYLIIRNG-UHFFFAOYSA-N
XLogP0.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79375352) is 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is CCN1CCOC(Cn2c(OC)nc(C)cc2=O)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is PDNLBHLYLIIRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-15-5-6-19-11(8-15)9-16-12(17)7-10(2)14-13(16)18-3/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 267.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79375352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).