(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione

C10H15N4O3+ — CID 6967414

IUPAC(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
SMILESCC[C@]1(C)[NH+]=c2c(c(=O)n(C)c(=O)n2C)=NO1
InChIInChI=1S/C10H14N4O3/c1-5-10(2)11-7-6(12-17-10)8(15)14(4)9(16)13(7)3/h5H2,1-4H3/p+1/t10-/m1/s1
InChIKeyVTSHMTLSYJQKSI-SNVBAGLBSA-O
MW239.25 g/mol
LogP-3.52
Rot. Bonds1

About (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione

(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione (PubChem CID 6967414) has the molecular formula C10H15N4O3+ and a molecular weight of 239.25 g/mol. Its IUPAC name is (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione.

Molecular Properties

Compound Name(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
PubChem CID6967414
Molecular FormulaC10H15N4O3+
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
SMILESCC[C@]1(C)[NH+]=c2c(c(=O)n(C)c(=O)n2C)=NO1
InChIInChI=1S/C10H14N4O3/c1-5-10(2)11-7-6(12-17-10)8(15)14(4)9(16)13(7)3/h5H2,1-4H3/p+1/t10-/m1/s1
InChIKeyVTSHMTLSYJQKSI-SNVBAGLBSA-O
XLogP-3.52
TPSA79.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-3.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione with MolForge

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Related Compounds

3H-Pyrimido(5,4-c)(1,2,5)oxadiazine-6,8(5H,7H)-dione, 3,3,5,7-tetramethyl-
CID 201030
3-Ethyl-3,5,7-trimethyl-3,5-dihydro-pyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
CID 3118971
(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
CID 1106135
(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
CID 1106136
(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
CID 6967413
5',7'-Dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazin-4-ium]-6',8'-dione
CID 6967415
N-(1,3-Dimethyl-2,4,6-trioxo-1,2,3,4,5,6-hexahydro-7-pteridinyl)acetamide
CID 75094859
(1,3-Dimethyl-2,6-dioxopurin-8-ylidene)-ethylazanium
CID 78175514
3,3-dimethyl-5H-pyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
CID 129939989
3-Methyl-6-(methylamino)-2,4,5(3H)-pyrimidinetrione 5-(O-acetyloxime)
CID 165344930

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione?
The IUPAC name of (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione (CID 6967414) is (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione.
What is the SMILES notation for (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione?
The canonical SMILES for (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione is CC[C@]1(C)[NH+]=c2c(c(=O)n(C)c(=O)n2C)=NO1.
What is the InChIKey of (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione?
The InChIKey is VTSHMTLSYJQKSI-SNVBAGLBSA-O. The full InChI is InChI=1S/C10H14N4O3/c1-5-10(2)11-7-6(12-17-10)8(15)14(4)9(16)13(7)3/h5H2,1-4H3/p+1/t10-/m1/s1.
What are the key properties of (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione?
(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione has a molecular weight of 239.25 g/mol, XLogP of -3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione is sourced from PubChem (CID 6967414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).