4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O4 — CID 114775981

IUPAC4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CNCC(C)(C)O2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-12(2)6-13-4-8(19-12)5-18-11-9(17-3)10(16)14-7-15-11/h7-8,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAQPWNOALNPBUQV-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.08
Rot. Bonds4

About 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one

4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114775981) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID114775981
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CNCC(C)(C)O2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-12(2)6-13-4-8(19-12)5-18-11-9(17-3)10(16)14-7-15-11/h7-8,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAQPWNOALNPBUQV-UHFFFAOYSA-N
XLogP-0.08
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
5-amino-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635012
4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
5-methoxy-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240703
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
5-methoxy-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241661
5-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241966
4-(1-ethoxypropan-2-yloxy)-5-methoxy-1H-pyrimidin-6-one
CID 103491878
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113632055
5-bromo-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113632070
5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898
5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1H-pyrimidin-6-one
CID 113792807

Frequently Asked Questions

What is the IUPAC name of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one (CID 114775981) is 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC2CNCC(C)(C)O2)nc[nH]c1=O.
What is the InChIKey of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is AQPWNOALNPBUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2)6-13-4-8(19-12)5-18-11-9(17-3)10(16)14-7-15-11/h7-8,13H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 269.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114775981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).