5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 114206196

IUPAC5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2CN(C)CCO2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-12-5-8-6-13-10(14-11(8)16)9-7-15(2)3-4-17-9/h6,9,12H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyGKXAGCFDNIJQBG-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.51
Rot. Bonds3

About 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one

5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 114206196) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID114206196
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2CN(C)CCO2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-12-5-8-6-13-10(14-11(8)16)9-7-15(2)3-4-17-9/h6,9,12H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyGKXAGCFDNIJQBG-UHFFFAOYSA-N
XLogP-0.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 114206196) is 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CNCc1cnc(C2CN(C)CCO2)[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is GKXAGCFDNIJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-5-8-6-13-10(14-11(8)16)9-7-15(2)3-4-17-9/h6,9,12H,3-5,7H2,1-2H3,(H,13,14,16).
What are the key properties of 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).