4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one

C12H20N4O2 — CID 136981222

IUPAC4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(C)OC(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-3-10-14-11(4-12(17)15-10)16-6-8(2)18-9(5-13)7-16/h4,8-9H,3,5-7,13H2,1-2H3,(H,14,15,17)
InChIKeyHVGVFKFIEUHHMZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.12
Rot. Bonds3

About 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one

4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136981222) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136981222
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(C)OC(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-3-10-14-11(4-12(17)15-10)16-6-8(2)18-9(5-13)7-16/h4,8-9H,3,5-7,13H2,1-2H3,(H,14,15,17)
InChIKeyHVGVFKFIEUHHMZ-UHFFFAOYSA-N
XLogP-0.12
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)azetidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 137008600
[4-(6-ethyl-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938660
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136989428
2-ethyl-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008951
2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136989146
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
6-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 102938584
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979055
2-ethyl-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136989887
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-ethyl-4-(3-propylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009914
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one (CID 136981222) is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CC(C)OC(CN)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is HVGVFKFIEUHHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-10-14-11(4-12(17)15-10)16-6-8(2)18-9(5-13)7-16/h4,8-9H,3,5-7,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136981222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).