2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one

C11H18N4O2 — CID 84700722

IUPAC2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCC(N)c1nc(N2CCOCC2)cc(=O)n1C
InChIInChI=1S/C11H18N4O2/c1-8(12)11-13-9(7-10(16)14(11)2)15-3-5-17-6-4-15/h7-8H,3-6,12H2,1-2H3
InChIKeyDPOKESLCQUOMCS-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.36
Rot. Bonds2

About 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one

2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 84700722) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID84700722
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCC(N)c1nc(N2CCOCC2)cc(=O)n1C
InChIInChI=1S/C11H18N4O2/c1-8(12)11-13-9(7-10(16)14(11)2)15-3-5-17-6-4-15/h7-8H,3-6,12H2,1-2H3
InChIKeyDPOKESLCQUOMCS-UHFFFAOYSA-N
XLogP-0.36
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one (CID 84700722) is 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one is CC(N)c1nc(N2CCOCC2)cc(=O)n1C.
What is the InChIKey of 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is DPOKESLCQUOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(12)11-13-9(7-10(16)14(11)2)15-3-5-17-6-4-15/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 84700722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).