5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione

C12H16N4O3 — CID 621946

IUPAC5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione
SMILESCn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)ON=2
InChIInChI=1S/C12H16N4O3/c1-15-9-8(10(17)16(2)11(15)18)14-19-12(13-9)6-4-3-5-7-12/h3-7H2,1-2H3
InChIKeyGXETZCPEKGYDMN-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.07
Rot. Bonds

About 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione

5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione (PubChem CID 621946) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione.

Molecular Properties

Compound Name5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione
PubChem CID621946
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione
SMILESCn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)ON=2
InChIInChI=1S/C12H16N4O3/c1-15-9-8(10(17)16(2)11(15)18)14-19-12(13-9)6-4-3-5-7-12/h3-7H2,1-2H3
InChIKeyGXETZCPEKGYDMN-UHFFFAOYSA-N
XLogP-1.07
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione?
The IUPAC name of 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione (CID 621946) is 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione.
What is the SMILES notation for 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione?
The canonical SMILES for 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione is Cn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)ON=2.
What is the InChIKey of 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione?
The InChIKey is GXETZCPEKGYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15-9-8(10(17)16(2)11(15)18)14-19-12(13-9)6-4-3-5-7-12/h3-7H2,1-2H3.
What are the key properties of 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione?
5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione has a molecular weight of 264.28 g/mol, XLogP of -1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione is sourced from PubChem (CID 621946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).