5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 121025206

IUPAC5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC1CN(C(=O)c2c[nH]c(=O)n(C)c2=O)CC(C)O1
InChIInChI=1S/C12H17N3O4/c1-7-5-15(6-8(2)19-7)11(17)9-4-13-12(18)14(3)10(9)16/h4,7-8H,5-6H2,1-3H3,(H,13,18)
InChIKeyRRYHJAYPPRGEOK-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.68
Rot. Bonds1

About 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione

5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 121025206) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID121025206
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC1CN(C(=O)c2c[nH]c(=O)n(C)c2=O)CC(C)O1
InChIInChI=1S/C12H17N3O4/c1-7-5-15(6-8(2)19-7)11(17)9-4-13-12(18)14(3)10(9)16/h4,7-8H,5-6H2,1-3H3,(H,13,18)
InChIKeyRRYHJAYPPRGEOK-UHFFFAOYSA-N
XLogP-0.68
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
5-[2-(5-bromo-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 163353336
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619317
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
CID 919353
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
CID 669506
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione (CID 121025206) is 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione is CC1CN(C(=O)c2c[nH]c(=O)n(C)c2=O)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RRYHJAYPPRGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-5-15(6-8(2)19-7)11(17)9-4-13-12(18)14(3)10(9)16/h4,7-8H,5-6H2,1-3H3,(H,13,18).
What are the key properties of 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione?
5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121025206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).