N-(pyridin-2-ylmethyl)-7H-purin-6-amine

C11H10N6 — CID 2155046

IUPACN-(pyridin-2-ylmethyl)-7H-purin-6-amine
SMILESc1ccc(CNc2ncnc3nc[nH]c23)nc1
InChIInChI=1S/C11H10N6/c1-2-4-12-8(3-1)5-13-10-9-11(15-6-14-9)17-7-16-10/h1-4,6-7H,5H2,(H2,13,14,15,16,17)
InChIKeyHZXVLXGTEHXACU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.36
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-7H-purin-6-amine

N-(pyridin-2-ylmethyl)-7H-purin-6-amine (PubChem CID 2155046) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-7H-purin-6-amine
PubChem CID2155046
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC NameN-(pyridin-2-ylmethyl)-7H-purin-6-amine
SMILESc1ccc(CNc2ncnc3nc[nH]c23)nc1
InChIInChI=1S/C11H10N6/c1-2-4-12-8(3-1)5-13-10-9-11(15-6-14-9)17-7-16-10/h1-4,6-7H,5H2,(H2,13,14,15,16,17)
InChIKeyHZXVLXGTEHXACU-UHFFFAOYSA-N
XLogP1.36
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-7H-purin-6-amine (CID 2155046) is N-(pyridin-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-7H-purin-6-amine is c1ccc(CNc2ncnc3nc[nH]c23)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is HZXVLXGTEHXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-2-4-12-8(3-1)5-13-10-9-11(15-6-14-9)17-7-16-10/h1-4,6-7H,5H2,(H2,13,14,15,16,17).
What are the key properties of N-(pyridin-2-ylmethyl)-7H-purin-6-amine?
N-(pyridin-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 226.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 2155046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).