5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione

C12H17N3O4 — CID 90648187

IUPAC5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCOC(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-12(2)7-15(4-5-19-12)10(17)8-6-14(3)11(18)13-9(8)16/h6H,4-5,7H2,1-3H3,(H,13,16,18)
InChIKeyVUFZLKGVBZCUDY-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.68
Rot. Bonds1

About 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione

5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione (PubChem CID 90648187) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione
PubChem CID90648187
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCOC(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-12(2)7-15(4-5-19-12)10(17)8-6-14(3)11(18)13-9(8)16/h6H,4-5,7H2,1-3H3,(H,13,16,18)
InChIKeyVUFZLKGVBZCUDY-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-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
5-(Morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21177786
5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 95219842
N,N-bis(2-ethyl-2-methoxybutyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 132307007
2-(difluoromethyl)-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 138011902
(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 5383382
5-[(3-propylmorpholin-4-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56711352
3-methyl-N-morpholino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778356
1,3-Dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
CID 84556889
5-(morpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848804
2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 71220711
1-(2-Methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894564

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione (CID 90648187) is 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione is Cn1cc(C(=O)N2CCOC(C)(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is VUFZLKGVBZCUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2)7-15(4-5-19-12)10(17)8-6-14(3)11(18)13-9(8)16/h6H,4-5,7H2,1-3H3,(H,13,16,18).
What are the key properties of 5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione?
5-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-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-(2,2-dimethylmorpholine-4-carbonyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 90648187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).