3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione

C12H18N6O2 — CID 82465201

IUPAC3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(NN)nc2n(C2CCCCC2)c1=O
InChIInChI=1S/C12H18N6O2/c1-17-10(19)8-9(15-11(14-8)16-13)18(12(17)20)7-5-3-2-4-6-7/h7H,2-6,13H2,1H3,(H2,14,15,16)
InChIKeyPKAAALOJRLHONM-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.21
Rot. Bonds2

About 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione

3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione (PubChem CID 82465201) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
PubChem CID82465201
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
SMILESCn1c(=O)c2[nH]c(NN)nc2n(C2CCCCC2)c1=O
InChIInChI=1S/C12H18N6O2/c1-17-10(19)8-9(15-11(14-8)16-13)18(12(17)20)7-5-3-2-4-6-7/h7H,2-6,13H2,1H3,(H2,14,15,16)
InChIKeyPKAAALOJRLHONM-UHFFFAOYSA-N
XLogP0.21
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-chloro-1,3-dicyclohexyl-7H-purine-2,6-dione
CID 158695416
8-(6-chloro-2-methyl-3-pyridinyl)-3-cyclobutyl-1-methyl-7H-purine-2,6-dione
CID 163450683
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
CID 82465205
1,3-dicyclopropyl-8-methyl-7H-purine-2,6-dione
CID 54291692
1,3-dimethyl-8-[(1-methylcyclopentyl)amino]-7H-purine-2,6-dione
CID 61369080
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308040
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
CID 82463842
1,3-dimethyl-8-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-7H-purine-2,6-dione
CID 104973146
1,3-dimethyl-8-(2-pyrrolidin-2-ylethylamino)-7H-purine-2,6-dione
CID 114794596

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione?
The IUPAC name of 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione (CID 82465201) is 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione?
The canonical SMILES for 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione is Cn1c(=O)c2[nH]c(NN)nc2n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione?
The InChIKey is PKAAALOJRLHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-17-10(19)8-9(15-11(14-8)16-13)18(12(17)20)7-5-3-2-4-6-7/h7H,2-6,13H2,1H3,(H2,14,15,16).
What are the key properties of 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione?
3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione has a molecular weight of 278.32 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 82465201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).