2-chloro-N-cyclooctyl-7H-purin-6-amine

C13H18ClN5 — CID 11587232

IUPAC2-chloro-N-cyclooctyl-7H-purin-6-amine
SMILESClc1nc(NC2CCCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H18ClN5/c14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,15,16,17,18,19)
InChIKeyCQLDJVZCCKQNAT-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-N-cyclooctyl-7H-purin-6-amine

2-chloro-N-cyclooctyl-7H-purin-6-amine (PubChem CID 11587232) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-N-cyclooctyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-cyclooctyl-7H-purin-6-amine
PubChem CID11587232
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name2-chloro-N-cyclooctyl-7H-purin-6-amine
SMILESClc1nc(NC2CCCCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H18ClN5/c14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,15,16,17,18,19)
InChIKeyCQLDJVZCCKQNAT-UHFFFAOYSA-N
XLogP3.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,4-dimethylcyclohexyl)-7H-purin-6-amine
CID 113442687
2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
CID 114096303
2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
CID 114123831
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
CID 154927028
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine
CID 71618002
2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
CID 141233178
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclooctyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-cyclooctyl-7H-purin-6-amine (CID 11587232) is 2-chloro-N-cyclooctyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-cyclooctyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-cyclooctyl-7H-purin-6-amine is Clc1nc(NC2CCCCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-cyclooctyl-7H-purin-6-amine?
The InChIKey is CQLDJVZCCKQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-cyclooctyl-7H-purin-6-amine?
2-chloro-N-cyclooctyl-7H-purin-6-amine has a molecular weight of 279.77 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclooctyl-7H-purin-6-amine is sourced from PubChem (CID 11587232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).