2-purin-9-ylethanamine

C7H9N5 — CID 86106662

IUPAC2-purin-9-ylethanamine
SMILESNCCn1cnc2cncnc21
InChIInChI=1S/C7H9N5/c8-1-2-12-5-11-6-3-9-4-10-7(6)12/h3-5H,1-2,8H2
InChIKeyMRPVHSOMGNNIQQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.22
Rot. Bonds2

About 2-purin-9-ylethanamine

2-purin-9-ylethanamine (PubChem CID 86106662) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-purin-9-ylethanamine.

Molecular Properties

Compound Name2-purin-9-ylethanamine
PubChem CID86106662
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-purin-9-ylethanamine
SMILESNCCn1cnc2cncnc21
InChIInChI=1S/C7H9N5/c8-1-2-12-5-11-6-3-9-4-10-7(6)12/h3-5H,1-2,8H2
InChIKeyMRPVHSOMGNNIQQ-UHFFFAOYSA-N
XLogP-0.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-purin-9-ylethanamine?
The IUPAC name of 2-purin-9-ylethanamine (CID 86106662) is 2-purin-9-ylethanamine.
What is the SMILES notation for 2-purin-9-ylethanamine?
The canonical SMILES for 2-purin-9-ylethanamine is NCCn1cnc2cncnc21.
What is the InChIKey of 2-purin-9-ylethanamine?
The InChIKey is MRPVHSOMGNNIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c8-1-2-12-5-11-6-3-9-4-10-7(6)12/h3-5H,1-2,8H2.
What are the key properties of 2-purin-9-ylethanamine?
2-purin-9-ylethanamine has a molecular weight of 163.18 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-purin-9-ylethanamine is sourced from PubChem (CID 86106662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).