6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile

C18H18N6 — CID 24778185

IUPAC6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C18H18N6/c19-10-15-22-17(20-11-13-6-2-1-3-7-13)16-18(23-15)24(12-21-16)14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-9,11H2,(H,20,22,23)
InChIKeyCZGLTILLPOGJQV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.43
Rot. Bonds4

About 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile

6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile (PubChem CID 24778185) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile.

Molecular Properties

Compound Name6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
PubChem CID24778185
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C18H18N6/c19-10-15-22-17(20-11-13-6-2-1-3-7-13)16-18(23-15)24(12-21-16)14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-9,11H2,(H,20,22,23)
InChIKeyCZGLTILLPOGJQV-UHFFFAOYSA-N
XLogP3.43
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
2-N-[(1R,3S)-4-amino-3-fluorocyclohexyl]-6-N-benzyl-9-cyclopentylpurine-2,6-diamine
CID 69348559
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine
CID 11762052
6-(naphthalen-1-ylmethylamino)-9-[5-(nitrosomethyl)oxolan-2-yl]purine-2-carbonitrile
CID 142057186
9-[5-(hydroxymethyl)oxolan-2-yl]-6-(naphthalen-1-ylmethylamino)purine-2-carbonitrile
CID 142057184
6-N-benzyl-2-N,2-N-dimethyl-9-(oxan-2-yl)purine-2,6-diamine
CID 135367859
9-cyclopentyl-6-N-[[4-(furan-3-yl)phenyl]methyl]purine-2,6-diamine
CID 141410278

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile?
The IUPAC name of 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile (CID 24778185) is 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile.
What is the SMILES notation for 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile?
The canonical SMILES for 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile is N#Cc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile?
The InChIKey is CZGLTILLPOGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c19-10-15-22-17(20-11-13-6-2-1-3-7-13)16-18(23-15)24(12-21-16)14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-9,11H2,(H,20,22,23).
What are the key properties of 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile?
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile is sourced from PubChem (CID 24778185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).