5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile

C16H8Cl2N8 — CID 67383519

IUPAC5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncnc3nc(-c4c(Cl)cccc4Cl)[nH]c23)cn1
InChIInChI=1S/C16H8Cl2N8/c17-9-2-1-3-10(18)12(9)14-25-13-15(22-7-23-16(13)26-14)24-11-6-20-8(4-19)5-21-11/h1-3,5-7H,(H2,21,22,23,24,25,26)
InChIKeyVHWKAZASSZANQO-UHFFFAOYSA-N
MW383.20 g/mol
LogP3.73
Rot. Bonds3

About 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile

5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile (PubChem CID 67383519) has the molecular formula C16H8Cl2N8 and a molecular weight of 383.20 g/mol. Its IUPAC name is 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile
PubChem CID67383519
Molecular FormulaC16H8Cl2N8
Molecular Weight383.20 g/mol
Exact Mass382.02
IUPAC Name5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ncnc3nc(-c4c(Cl)cccc4Cl)[nH]c23)cn1
InChIInChI=1S/C16H8Cl2N8/c17-9-2-1-3-10(18)12(9)14-25-13-15(22-7-23-16(13)26-14)24-11-6-20-8(4-19)5-21-11/h1-3,5-7H,(H2,21,22,23,24,25,26)
InChIKeyVHWKAZASSZANQO-UHFFFAOYSA-N
XLogP3.73
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile (CID 67383519) is 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2ncnc3nc(-c4c(Cl)cccc4Cl)[nH]c23)cn1.
What is the InChIKey of 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is VHWKAZASSZANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N8/c17-9-2-1-3-10(18)12(9)14-25-13-15(22-7-23-16(13)26-14)24-11-6-20-8(4-19)5-21-11/h1-3,5-7H,(H2,21,22,23,24,25,26).
What are the key properties of 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile?
5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 383.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 67383519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).