6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide

C20H31N7O — CID 90333301

IUPAC6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide
SMILESCC1CCC(Cn2cnc3nc(C(=O)NN)nc(NCCC4CCC4)c32)CC1
InChIInChI=1S/C20H31N7O/c1-13-5-7-15(8-6-13)11-27-12-23-18-16(27)17(22-10-9-14-3-2-4-14)24-19(25-18)20(28)26-21/h12-15H,2-11,21H2,1H3,(H,26,28)(H,22,24,25)
InChIKeyDGKQQONGFFYZIB-UHFFFAOYSA-N
MW385.52 g/mol
LogP2.86
Rot. Bonds7

About 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide

6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide (PubChem CID 90333301) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide.

Molecular Properties

Compound Name6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide
PubChem CID90333301
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide
SMILESCC1CCC(Cn2cnc3nc(C(=O)NN)nc(NCCC4CCC4)c32)CC1
InChIInChI=1S/C20H31N7O/c1-13-5-7-15(8-6-13)11-27-12-23-18-16(27)17(22-10-9-14-3-2-4-14)24-19(25-18)20(28)26-21/h12-15H,2-11,21H2,1H3,(H,26,28)(H,22,24,25)
InChIKeyDGKQQONGFFYZIB-UHFFFAOYSA-N
XLogP2.86
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51089004
2-[2-(Cyclohexylmethyl)hydrazinyl]-9-methylpurin-6-amine
CID 69217109
6-{[(1R)-1-cyclobutylethyl]amino}-7-[(trans-4-methylcyclohexyl)methyl]-7H-purine-2-carboxylic acid
CID 77847382
6-{[(1R)-1-cyclobutylethyl]amino}-N-(dimethylsulfamoyl)-7-[(trans-4-methylcyclohexyl)methyl]-7H-purine-2-carboxamide
CID 77847384
6-(((R)-1-cyclobutylethyl)amino)-7-((trans-4-methylcyclohexyl)methyl)-7H-purine-2-carbonitrile
CID 90325028
2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(trans-4-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 90325511
1-[[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonyl]amino]-1-methylurea
CID 90333081
1-[[6-(2-Cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbonyl]amino]-3-methylurea
CID 90333082
6-(((R)-1-cyclobutylethyl)amino)-7-(((trans)-4-methylcyclohexyl)methyl)-7H-purine-2-carbohydrazide
CID 90333303
2-chloro-N-(2-cyclobutylethyl)-7-[2-(4-methylcyclohexyl)ethyl]purin-6-amine
CID 90333410
5-(6-{[(1R)-1-cyclobutylethyl]amino}-7-[(trans-4-methylcyclohexyl)methyl]-7H-purin-2-yl)-1,3,4-oxadiazol-2(3H)-one
CID 90338207
5-(6-{[(1R)-1-cyclobutylethyl]amino}-7-[(trans-4-methylcyclohexyl)methyl]-7H-purin-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 90338229

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide?
The IUPAC name of 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide (CID 90333301) is 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide.
What is the SMILES notation for 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide?
The canonical SMILES for 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide is CC1CCC(Cn2cnc3nc(C(=O)NN)nc(NCCC4CCC4)c32)CC1.
What is the InChIKey of 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide?
The InChIKey is DGKQQONGFFYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-13-5-7-15(8-6-13)11-27-12-23-18-16(27)17(22-10-9-14-3-2-4-14)24-19(25-18)20(28)26-21/h12-15H,2-11,21H2,1H3,(H,26,28)(H,22,24,25).
What are the key properties of 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide?
6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide has a molecular weight of 385.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethylamino)-7-[(4-methylcyclohexyl)methyl]purine-2-carbohydrazide is sourced from PubChem (CID 90333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).