9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine

C13H13ClN6 — CID 102663266

IUPAC9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
SMILESNCc1ccc(Cn2cnc3c(N)ncnc32)c(Cl)c1
InChIInChI=1S/C13H13ClN6/c14-10-3-8(4-15)1-2-9(10)5-20-7-19-11-12(16)17-6-18-13(11)20/h1-3,6-7H,4-5,15H2,(H2,16,17,18)
InChIKeyFXJPQXFRMOJUPW-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.57
Rot. Bonds3

About 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine

9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine (PubChem CID 102663266) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
PubChem CID102663266
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC Name9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
SMILESNCc1ccc(Cn2cnc3c(N)ncnc32)c(Cl)c1
InChIInChI=1S/C13H13ClN6/c14-10-3-8(4-15)1-2-9(10)5-20-7-19-11-12(16)17-6-18-13(11)20/h1-3,6-7H,4-5,15H2,(H2,16,17,18)
InChIKeyFXJPQXFRMOJUPW-UHFFFAOYSA-N
XLogP1.57
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538
9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
9-[[2-(aminomethyl)-4-ethyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244582
[4-[(6-aminopurin-9-yl)methyl]phenoxy]boronic acid
CID 169006248
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
9-[[2-(aminomethyl)-5-phenyl-1H-indol-7-yl]methyl]purin-6-amine
CID 129244413
9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
CID 129244210

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine?
The IUPAC name of 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine (CID 102663266) is 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine?
The canonical SMILES for 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine is NCc1ccc(Cn2cnc3c(N)ncnc32)c(Cl)c1.
What is the InChIKey of 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine?
The InChIKey is FXJPQXFRMOJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c14-10-3-8(4-15)1-2-9(10)5-20-7-19-11-12(16)17-6-18-13(11)20/h1-3,6-7H,4-5,15H2,(H2,16,17,18).
What are the key properties of 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine?
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine has a molecular weight of 288.74 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine is sourced from PubChem (CID 102663266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).