2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

C20H17N5O4 — CID 23603281

IUPAC2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1OC
InChIInChI=1S/C20H17N5O4/c1-28-13-9-8-11(10-14(13)29-2)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyDVWGSKKHYIZCAM-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.89
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (PubChem CID 23603281) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
PubChem CID23603281
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1OC
InChIInChI=1S/C20H17N5O4/c1-28-13-9-8-11(10-14(13)29-2)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyDVWGSKKHYIZCAM-UHFFFAOYSA-N
XLogP1.89
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (CID 23603281) is 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The InChIKey is DVWGSKKHYIZCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-28-13-9-8-11(10-14(13)29-2)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,21,26)(H,23,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is sourced from PubChem (CID 23603281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).