(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione

C10H14N4O3 — CID 1106135

IUPAC(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
SMILESCC[C@@]1(C)N=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/t10-/m0/s1
InChIKeyVTSHMTLSYJQKSI-JTQLQIEISA-N
MW238.25 g/mol
LogP-1.61
Rot. Bonds1

About (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione

(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione (PubChem CID 1106135) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione.

Molecular Properties

Compound Name(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
PubChem CID1106135
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione
SMILESCC[C@@]1(C)N=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/t10-/m0/s1
InChIKeyVTSHMTLSYJQKSI-JTQLQIEISA-N
XLogP-1.61
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5',7'-Dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione
CID 621946
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
Xanthine, 1,3,8,8-tetramethyl-
CID 120343
5,7-dimethyl-3H-pyrimido[5,4-c][1,2,5]oxadiazine-3,6,8(5H,7H)-trione
CID 11020135
[Dimethylamino-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxymethylidene]-dimethylazanium
CID 101899711
1,3-dimethyl-6H-pteridine-2,4,7-trione
CID 134891836
8-ethyl-1,3-dimethyl-7-oxido-4H-purin-7-ium-2,6-dione
CID 203397
(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
(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
CID 6967414
8-Ethyl-1,3,8-trimethylpurine-2,6-dione
CID 24103667

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione?
The IUPAC name of (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione (CID 1106135) is (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione.
What is the SMILES notation for (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione?
The canonical SMILES for (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione is CC[C@@]1(C)N=c2c(c(=O)n(C)c(=O)n2C)=NO1.
What is the InChIKey of (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione?
The InChIKey is VTSHMTLSYJQKSI-JTQLQIEISA-N. 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/t10-/m0/s1.
What are the key properties of (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione?
(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione has a molecular weight of 238.25 g/mol, XLogP of -1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazine-6,8-dione is sourced from PubChem (CID 1106135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).