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

C11H18N4O3 — CID 114775767

IUPAC5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1(C)CNCC(COc2nc[nH]c(=O)c2N)O1
InChIInChI=1S/C11H18N4O3/c1-11(2)5-13-3-7(18-11)4-17-10-8(12)9(16)14-6-15-10/h6-7,13H,3-5,12H2,1-2H3,(H,14,15,16)
InChIKeyBNRQQFSNAPGXSW-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.50
Rot. Bonds3

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

5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114775767) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID114775767
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1(C)CNCC(COc2nc[nH]c(=O)c2N)O1
InChIInChI=1S/C11H18N4O3/c1-11(2)5-13-3-7(18-11)4-17-10-8(12)9(16)14-6-15-10/h6-7,13H,3-5,12H2,1-2H3,(H,14,15,16)
InChIKeyBNRQQFSNAPGXSW-UHFFFAOYSA-N
XLogP-0.50
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635012
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-amino-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586313
5-amino-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586341
5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586612
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 114775904
5-chloro-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 114775980
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114775981
5-amino-4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783272
5-amino-4-(1,4-dioxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974456

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 114775767) is 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is CC1(C)CNCC(COc2nc[nH]c(=O)c2N)O1.
What is the InChIKey of 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is BNRQQFSNAPGXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2)5-13-3-7(18-11)4-17-10-8(12)9(16)14-6-15-10/h6-7,13H,3-5,12H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(6,6-dimethylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114775767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).