2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide

C16H9Cl2N5O2S — CID 7519853

IUPAC2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1cccs1
InChIInChI=1S/C16H9Cl2N5O2S/c17-7-3-4-8(9(18)6-7)14-20-11(13(19)24)12-15(22-14)23(16(25)21-12)10-2-1-5-26-10/h1-6H,(H2,19,24)(H,21,25)
InChIKeyJZQSBUPQMLVCLH-UHFFFAOYSA-N
MW406.25 g/mol
LogP3.24
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide

2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide (PubChem CID 7519853) has the molecular formula C16H9Cl2N5O2S and a molecular weight of 406.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
PubChem CID7519853
Molecular FormulaC16H9Cl2N5O2S
Molecular Weight406.25 g/mol
Exact Mass404.99
IUPAC Name2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1cccs1
InChIInChI=1S/C16H9Cl2N5O2S/c17-7-3-4-8(9(18)6-7)14-20-11(13(19)24)12-15(22-14)23(16(25)21-12)10-2-1-5-26-10/h1-6H,(H2,19,24)(H,21,25)
InChIKeyJZQSBUPQMLVCLH-UHFFFAOYSA-N
XLogP3.24
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-9-(2,6-difluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599461
9-(2,4-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937606
9-(4-chlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603329
9-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603324
9-(1,3-benzodioxol-5-yl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide
CID 7267866
2-(4-chloro-2,6-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24821786
9-(3,4-dichlorophenyl)-2-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16815187
9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24936459
9-(4-chlorophenyl)-2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135584504
2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680395
9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603348

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide (CID 7519853) is 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide is NC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1cccs1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
The InChIKey is JZQSBUPQMLVCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5O2S/c17-7-3-4-8(9(18)6-7)14-20-11(13(19)24)12-15(22-14)23(16(25)21-12)10-2-1-5-26-10/h1-6H,(H2,19,24)(H,21,25).
What are the key properties of 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide has a molecular weight of 406.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 7519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).