2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide

C15H13Cl2N5O3 — CID 177001296

IUPAC2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3nc(Cl)nc(Cl)c32)cc1OC
InChIInChI=1S/C15H13Cl2N5O3/c1-24-9-4-3-8(5-10(9)25-2)19-11(23)6-22-7-18-14-12(22)13(16)20-15(17)21-14/h3-5,7H,6H2,1-2H3,(H,19,23)
InChIKeyJCWICFOLNXXTGS-UHFFFAOYSA-N
MW382.21 g/mol
LogP2.79
Rot. Bonds5

About 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 177001296) has the molecular formula C15H13Cl2N5O3 and a molecular weight of 382.21 g/mol. Its IUPAC name is 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID177001296
Molecular FormulaC15H13Cl2N5O3
Molecular Weight382.21 g/mol
Exact Mass381.04
IUPAC Name2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3nc(Cl)nc(Cl)c32)cc1OC
InChIInChI=1S/C15H13Cl2N5O3/c1-24-9-4-3-8(5-10(9)25-2)19-11(23)6-22-7-18-14-12(22)13(16)20-15(17)21-14/h3-5,7H,6H2,1-2H3,(H,19,23)
InChIKeyJCWICFOLNXXTGS-UHFFFAOYSA-N
XLogP2.79
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 40998314
2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 30849236
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053
N-(3,4-dimethoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869384
2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 112521529
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525529
N-(3,4-dimethoxyphenyl)-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422886

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 177001296) is 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cnc3nc(Cl)nc(Cl)c32)cc1OC.
What is the InChIKey of 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is JCWICFOLNXXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O3/c1-24-9-4-3-8(5-10(9)25-2)19-11(23)6-22-7-18-14-12(22)13(16)20-15(17)21-14/h3-5,7H,6H2,1-2H3,(H,19,23).
What are the key properties of 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 382.21 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloropurin-7-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 177001296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).