9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine

C10H8ClN7 — CID 104513941

IUPAC9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1ccc(Cl)nn1
InChIInChI=1S/C10H8ClN7/c11-7-2-1-6(16-17-7)3-18-5-15-8-9(12)13-4-14-10(8)18/h1-2,4-5H,3H2,(H2,12,13,14)
InChIKeyGJDCKHPQYIIGJX-UHFFFAOYSA-N
MW261.68 g/mol
LogP0.90
Rot. Bonds2

About 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine

9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine (PubChem CID 104513941) has the molecular formula C10H8ClN7 and a molecular weight of 261.68 g/mol. Its IUPAC name is 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
PubChem CID104513941
Molecular FormulaC10H8ClN7
Molecular Weight261.68 g/mol
Exact Mass261.05
IUPAC Name9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1ccc(Cl)nn1
InChIInChI=1S/C10H8ClN7/c11-7-2-1-6(16-17-7)3-18-5-15-8-9(12)13-4-14-10(8)18/h1-2,4-5H,3H2,(H2,12,13,14)
InChIKeyGJDCKHPQYIIGJX-UHFFFAOYSA-N
XLogP0.90
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
[4-[(6-aminopurin-9-yl)methyl]phenoxy]boronic acid
CID 169006248
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689

Frequently Asked Questions

What is the IUPAC name of 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine?
The IUPAC name of 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine (CID 104513941) is 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine?
The canonical SMILES for 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine is Nc1ncnc2c1ncn2Cc1ccc(Cl)nn1.
What is the InChIKey of 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine?
The InChIKey is GJDCKHPQYIIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7/c11-7-2-1-6(16-17-7)3-18-5-15-8-9(12)13-4-14-10(8)18/h1-2,4-5H,3H2,(H2,12,13,14).
What are the key properties of 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine?
9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine has a molecular weight of 261.68 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine is sourced from PubChem (CID 104513941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).