6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile

C21H28N6 — CID 90333230

IUPAC6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile
SMILESCC(Nc1nc(C#N)nc2ncn(CC3CCC4(CC3)CC4)c12)C1CCC1
InChIInChI=1S/C21H28N6/c1-14(16-3-2-4-16)24-20-18-19(25-17(11-22)26-20)23-13-27(18)12-15-5-7-21(8-6-15)9-10-21/h13-16H,2-10,12H2,1H3,(H,24,25,26)
InChIKeyGYAAMWXMHKBAGQ-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.27
Rot. Bonds5

About 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile

6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile (PubChem CID 90333230) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile
PubChem CID90333230
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile
SMILESCC(Nc1nc(C#N)nc2ncn(CC3CCC4(CC3)CC4)c12)C1CCC1
InChIInChI=1S/C21H28N6/c1-14(16-3-2-4-16)24-20-18-19(25-17(11-22)26-20)23-13-27(18)12-15-5-7-21(8-6-15)9-10-21/h13-16H,2-10,12H2,1H3,(H,24,25,26)
InChIKeyGYAAMWXMHKBAGQ-UHFFFAOYSA-N
XLogP4.27
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-(1-cyclobutylethylamino)-7-[(4,4-dimethylcyclohexyl)methyl]-8-(4-propan-2-yl-2-pyridinyl)purine-2-carbonitrile
CID 90317612
8-cyclobutyl-6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile
CID 118558778
6-[[(1R)-1-cyclobutylethyl]amino]-8-[difluoro(phenyl)methyl]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile
CID 118558809
2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 118558594
8-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile
CID 118558598
8-(4-chloro-2-pyridinyl)-6-[[(1R)-1-cyclobutylethyl]amino]-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile
CID 118558843
6-[[(1R)-1-cyclobutylethyl]amino]-8-pyridin-2-yl-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile
CID 118558695
2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine
CID 154076062
6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methoxyphenyl)methyl]-8-(3-methylphenyl)purine-2-carbonitrile
CID 90318633
6-[[(1R)-1-cyclobutylethyl]amino]-8-[1-(2-methylpropoxy)ethyl]-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile
CID 118558797
8-(4-bromo-2-methylphenyl)-6-(1-cyclobutylethylamino)-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2-carbonitrile
CID 90318163
6-(3-chlorophenyl)-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine-2-carbonitrile
CID 118590255

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile?
The IUPAC name of 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile (CID 90333230) is 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile.
What is the SMILES notation for 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile?
The canonical SMILES for 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile is CC(Nc1nc(C#N)nc2ncn(CC3CCC4(CC3)CC4)c12)C1CCC1.
What is the InChIKey of 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile?
The InChIKey is GYAAMWXMHKBAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-14(16-3-2-4-16)24-20-18-19(25-17(11-22)26-20)23-13-27(18)12-15-5-7-21(8-6-15)9-10-21/h13-16H,2-10,12H2,1H3,(H,24,25,26).
What are the key properties of 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile?
6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile has a molecular weight of 364.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclobutylethylamino)-7-(spiro[2.5]octan-6-ylmethyl)purine-2-carbonitrile is sourced from PubChem (CID 90333230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).