5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione

C7H6N4O4 — CID 11020135

IUPAC5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione
SMILESCn1c(=O)c2noc(=O)nc2n(C)c1=O
InChIInChI=1S/C7H6N4O4/c1-10-4-3(9-15-6(13)8-4)5(12)11(2)7(10)14/h1-2H3
InChIKeyLCPOHMAYCMBQSP-UHFFFAOYSA-N
MW210.15 g/mol
LogP-2.02
Rot. Bonds

About 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione

5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione (PubChem CID 11020135) has the molecular formula C7H6N4O4 and a molecular weight of 210.15 g/mol. Its IUPAC name is 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione.

Molecular Properties

Compound Name5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione
PubChem CID11020135
Molecular FormulaC7H6N4O4
Molecular Weight210.15 g/mol
Exact Mass210.04
IUPAC Name5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione
SMILESCn1c(=O)c2noc(=O)nc2n(C)c1=O
InChIInChI=1S/C7H6N4O4/c1-10-4-3(9-15-6(13)8-4)5(12)11(2)7(10)14/h1-2H3
InChIKeyLCPOHMAYCMBQSP-UHFFFAOYSA-N
XLogP-2.02
TPSA99.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
1,3-Dimethylpteridine-2,4,6,7-tetrone
CID 86280395
[(Z)-(1,3-dimethyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate
CID 125508552
N-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)acetamide
CID 136263030
3-Methyl-6-(methylamino)-2,4,5(3H)-pyrimidinetrione 5-(O-acetyloxime)
CID 165344930

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione?
The IUPAC name of 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione (CID 11020135) is 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione.
What is the SMILES notation for 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione?
The canonical SMILES for 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione is Cn1c(=O)c2noc(=O)nc2n(C)c1=O.
What is the InChIKey of 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione?
The InChIKey is LCPOHMAYCMBQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4/c1-10-4-3(9-15-6(13)8-4)5(12)11(2)7(10)14/h1-2H3.
What are the key properties of 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione?
5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione has a molecular weight of 210.15 g/mol, XLogP of -2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrimido[5,4-c][1,2,5]oxadiazine-3,6,8-trione is sourced from PubChem (CID 11020135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).