4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione

C16H22N4O3 — CID 12064303

IUPAC4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
SMILESO=c1c2nonc2n(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C16H22N4O3/c21-15-13-14(18-23-17-13)19(11-7-3-1-4-8-11)16(22)20(15)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyXGQKUBDDRFEFSW-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.56
Rot. Bonds2

About 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione

4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione (PubChem CID 12064303) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
PubChem CID12064303
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
SMILESO=c1c2nonc2n(C2CCCCC2)c(=O)n1C1CCCCC1
InChIInChI=1S/C16H22N4O3/c21-15-13-14(18-23-17-13)19(11-7-3-1-4-8-11)16(22)20(15)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyXGQKUBDDRFEFSW-UHFFFAOYSA-N
XLogP2.56
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
8-chloro-1,3-dicyclohexyl-7H-purine-2,6-dione
CID 158695416
1,3-dicyclohexyl-5-diazonio-2,6-dioxopyrimidin-4-olate
CID 14022851
1-cyclopropylaziridine-2,3-dione
CID 154037475
6-cyclododecylbenzo[d][2]benzazepine-5,7-dione
CID 4990028
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
5-cyclopentyl-1-methylimidazo[4,5-c]quinolin-4-one
CID 10355619
3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
CID 22506520
1,3,5-tris(oxetan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 158540944
8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308040
1,3-dicyclopropyl-8-methyl-7H-purine-2,6-dione
CID 54291692
1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
CID 598906

Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione?
The IUPAC name of 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione (CID 12064303) is 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione is O=c1c2nonc2n(C2CCCCC2)c(=O)n1C1CCCCC1.
What is the InChIKey of 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione?
The InChIKey is XGQKUBDDRFEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-15-13-14(18-23-17-13)19(11-7-3-1-4-8-11)16(22)20(15)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione?
4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione has a molecular weight of 318.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclohexyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 12064303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).