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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-[6-[(5-ethylpyrazin-2-yl)amino]-7H-purin-8-yl]benzonitrile
CID 53476790
8-(2-chloro-6-fluorophenyl)-N-pyridazin-3-yl-7H-purin-6-amine
CID 67382661
1-[8-(2,6-dichlorophenyl)-7H-purin-6-yl]-3-methylurea
CID 67383980
[2-[[8-(2,6-dichlorophenyl)-7H-purin-6-yl]amino]-4-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
CID 67383525
3-(6-anilino-7H-purin-8-yl)benzonitrile
CID 46894038
3,5-dichloro-4-[6-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-7H-purin-8-yl]benzonitrile
CID 67383600
N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
CID 67383579
4-N-[8-(2-chloro-3,6-difluorophenyl)-7H-purin-6-yl]pyrimidine-4,6-diamine
CID 67383690
7-bromo-2-(2,6-dichlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-3H-imidazo[4,5-c]pyridin-4-amine
CID 67388081
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
CID 67383893
6-chloro-8-phenyl-7H-purine
CID 15363167

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).