1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile

C10H7N7 — CID 114052461

IUPAC1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H7N7/c11-4-6-2-1-3-17(6)9-7-8(14-5-13-7)15-10(12)16-9/h1-3,5H,(H3,12,13,14,15,16)
InChIKeyMYUSUUIMYZTBOF-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.60
Rot. Bonds1

About 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile

1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile (PubChem CID 114052461) has the molecular formula C10H7N7 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile
PubChem CID114052461
Molecular FormulaC10H7N7
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H7N7/c11-4-6-2-1-3-17(6)9-7-8(14-5-13-7)15-10(12)16-9/h1-3,5H,(H3,12,13,14,15,16)
InChIKeyMYUSUUIMYZTBOF-UHFFFAOYSA-N
XLogP0.60
TPSA109.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706
1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
CID 114649836
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825
4-[(2-amino-7H-purin-6-yl)oxy]benzonitrile
CID 114787259
6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
CID 114786662
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
4-[(2-amino-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107795021
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
2-[(2-amino-7H-purin-6-yl)amino]-6-fluorobenzonitrile
CID 114783970

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile (CID 114052461) is 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile?
The InChIKey is MYUSUUIMYZTBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7/c11-4-6-2-1-3-17(6)9-7-8(14-5-13-7)15-10(12)16-9/h1-3,5H,(H3,12,13,14,15,16).
What are the key properties of 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile?
1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile has a molecular weight of 225.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7H-purin-6-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114052461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).