2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine

C13H14ClN5 — CID 114096303

IUPAC2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
SMILESClc1nc(NC2C3C4CCC(C4)C23)c2[nH]cnc2n1
InChIInChI=1S/C13H14ClN5/c14-13-18-11-10(15-4-16-11)12(19-13)17-9-7-5-1-2-6(3-5)8(7)9/h4-9H,1-3H2,(H2,15,16,17,18,19)
InChIKeyRECHBHIOXHBKTJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.46
Rot. Bonds2

About 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine

2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine (PubChem CID 114096303) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
PubChem CID114096303
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
SMILESClc1nc(NC2C3C4CCC(C4)C23)c2[nH]cnc2n1
InChIInChI=1S/C13H14ClN5/c14-13-18-11-10(15-4-16-11)12(19-13)17-9-7-5-1-2-6(3-5)8(7)9/h4-9H,1-3H2,(H2,15,16,17,18,19)
InChIKeyRECHBHIOXHBKTJ-UHFFFAOYSA-N
XLogP2.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine with MolForge

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Related Compounds

2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
2-chloro-N-(3,4-dimethylcyclohexyl)-7H-purin-6-amine
CID 113442687
2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
CID 114123831
3-[(2-chloro-7H-purin-6-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118689248
2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
CID 141233178
2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
CID 154927028
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine
CID 71618002
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
2,6-dichloro-7H-purine
CID 10750289
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine (CID 114096303) is 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine is Clc1nc(NC2C3C4CCC(C4)C23)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine?
The InChIKey is RECHBHIOXHBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-13-18-11-10(15-4-16-11)12(19-13)17-9-7-5-1-2-6(3-5)8(7)9/h4-9H,1-3H2,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine?
2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine has a molecular weight of 275.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine is sourced from PubChem (CID 114096303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).