6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile

C20H28N6 — CID 90325028

IUPAC6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile
SMILESCC1CCC(Cn2cnc3nc(C#N)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C20H28N6/c1-13-6-8-15(9-7-13)11-26-12-22-19-18(26)20(25-17(10-21)24-19)23-14(2)16-4-3-5-16/h12-16H,3-9,11H2,1-2H3,(H,23,24,25)/t13?,14-,15?/m1/s1
InChIKeyOPERCGXRCYCPQY-SHARSMKWSA-N
MW352.49 g/mol
LogP4.12
Rot. Bonds5

About 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile

6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile (PubChem CID 90325028) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile
PubChem CID90325028
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile
SMILESCC1CCC(Cn2cnc3nc(C#N)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C20H28N6/c1-13-6-8-15(9-7-13)11-26-12-22-19-18(26)20(25-17(10-21)24-19)23-14(2)16-4-3-5-16/h12-16H,3-9,11H2,1-2H3,(H,23,24,25)/t13?,14-,15?/m1/s1
InChIKeyOPERCGXRCYCPQY-SHARSMKWSA-N
XLogP4.12
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile with MolForge

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Related Compounds

N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CID 5288616
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)-9H-purine-2,6-diamine
CID 10067698
1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
9-Cyclohexyl-9H-purin-6-amine
CID 95121
N-cyclopentyl-9-ethyl-9H-purin-6-amine
CID 15693948
9-butyl-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778050
N*6*-Cyclohexyl-N*2*-ethyl-9H-purine-2,6-diamine
CID 11334464
Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine
CID 15693949
N-0861 racemate
CID 9837708
6-Cyclohexylamino-9-cyclopentyl-purine-2-carbonitrile
CID 9883178

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile?
The IUPAC name of 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile (CID 90325028) is 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile.
What is the SMILES notation for 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile?
The canonical SMILES for 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile is CC1CCC(Cn2cnc3nc(C#N)nc(N[C@H](C)C4CCC4)c32)CC1.
What is the InChIKey of 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile?
The InChIKey is OPERCGXRCYCPQY-SHARSMKWSA-N. The full InChI is InChI=1S/C20H28N6/c1-13-6-8-15(9-7-13)11-26-12-22-19-18(26)20(25-17(10-21)24-19)23-14(2)16-4-3-5-16/h12-16H,3-9,11H2,1-2H3,(H,23,24,25)/t13?,14-,15?/m1/s1.
What are the key properties of 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile?
6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile has a molecular weight of 352.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]purine-2-carbonitrile is sourced from PubChem (CID 90325028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).