N-pyrrol-1-yl-7H-purin-6-amine

C9H8N6 — CID 15136427

IUPACN-pyrrol-1-yl-7H-purin-6-amine
SMILESc1ccn(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C9H8N6/c1-2-4-15(3-1)14-9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H2,10,11,12,13,14)
InChIKeyADXHDCBUFKTQPT-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.03
Rot. Bonds2

About N-pyrrol-1-yl-7H-purin-6-amine

N-pyrrol-1-yl-7H-purin-6-amine (PubChem CID 15136427) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is N-pyrrol-1-yl-7H-purin-6-amine.

Molecular Properties

Compound NameN-pyrrol-1-yl-7H-purin-6-amine
PubChem CID15136427
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC NameN-pyrrol-1-yl-7H-purin-6-amine
SMILESc1ccn(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C9H8N6/c1-2-4-15(3-1)14-9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H2,10,11,12,13,14)
InChIKeyADXHDCBUFKTQPT-UHFFFAOYSA-N
XLogP1.03
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-7H-purin-6-amine?
The IUPAC name of N-pyrrol-1-yl-7H-purin-6-amine (CID 15136427) is N-pyrrol-1-yl-7H-purin-6-amine.
What is the SMILES notation for N-pyrrol-1-yl-7H-purin-6-amine?
The canonical SMILES for N-pyrrol-1-yl-7H-purin-6-amine is c1ccn(Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-pyrrol-1-yl-7H-purin-6-amine?
The InChIKey is ADXHDCBUFKTQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c1-2-4-15(3-1)14-9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H2,10,11,12,13,14).
What are the key properties of N-pyrrol-1-yl-7H-purin-6-amine?
N-pyrrol-1-yl-7H-purin-6-amine has a molecular weight of 200.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-7H-purin-6-amine is sourced from PubChem (CID 15136427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).