9-(aminomethyl)-2-chloropurin-6-amine

C6H7ClN6 — CID 156571755

IUPAC9-(aminomethyl)-2-chloropurin-6-amine
SMILESNCn1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C6H7ClN6/c7-6-11-4(9)3-5(12-6)13(1-8)2-10-3/h2H,1,8H2,(H2,9,11,12)
InChIKeyWARSKBMGDZILKN-UHFFFAOYSA-N
MW198.62 g/mol
LogP-0.02
Rot. Bonds1

About 9-(aminomethyl)-2-chloropurin-6-amine

9-(aminomethyl)-2-chloropurin-6-amine (PubChem CID 156571755) has the molecular formula C6H7ClN6 and a molecular weight of 198.62 g/mol. Its IUPAC name is 9-(aminomethyl)-2-chloropurin-6-amine.

Molecular Properties

Compound Name9-(aminomethyl)-2-chloropurin-6-amine
PubChem CID156571755
Molecular FormulaC6H7ClN6
Molecular Weight198.62 g/mol
Exact Mass198.04
IUPAC Name9-(aminomethyl)-2-chloropurin-6-amine
SMILESNCn1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C6H7ClN6/c7-6-11-4(9)3-5(12-6)13(1-8)2-10-3/h2H,1,8H2,(H2,9,11,12)
InChIKeyWARSKBMGDZILKN-UHFFFAOYSA-N
XLogP-0.02
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(aminomethyl)-2-chloropurin-6-amine?
The IUPAC name of 9-(aminomethyl)-2-chloropurin-6-amine (CID 156571755) is 9-(aminomethyl)-2-chloropurin-6-amine.
What is the SMILES notation for 9-(aminomethyl)-2-chloropurin-6-amine?
The canonical SMILES for 9-(aminomethyl)-2-chloropurin-6-amine is NCn1cnc2c(N)nc(Cl)nc21.
What is the InChIKey of 9-(aminomethyl)-2-chloropurin-6-amine?
The InChIKey is WARSKBMGDZILKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN6/c7-6-11-4(9)3-5(12-6)13(1-8)2-10-3/h2H,1,8H2,(H2,9,11,12).
What are the key properties of 9-(aminomethyl)-2-chloropurin-6-amine?
9-(aminomethyl)-2-chloropurin-6-amine has a molecular weight of 198.62 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(aminomethyl)-2-chloropurin-6-amine is sourced from PubChem (CID 156571755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).