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

C21H19N5O5 — CID 5310465

IUPAC2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)c(OC)c1
InChIInChI=1S/C21H19N5O5/c1-29-11-8-9-12(15(10-11)31-3)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-6-4-5-7-14(13)30-2/h4-10H,1-3H3,(H2,22,27)(H,24,28)
InChIKeyHEWIFKLNTUIORE-UHFFFAOYSA-N
MW421.41 g/mol
LogP1.90
Rot. Bonds6

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

2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 5310465) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID5310465
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)c(OC)c1
InChIInChI=1S/C21H19N5O5/c1-29-11-8-9-12(15(10-11)31-3)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-6-4-5-7-14(13)30-2/h4-10H,1-3H3,(H2,22,27)(H,24,28)
InChIKeyHEWIFKLNTUIORE-UHFFFAOYSA-N
XLogP1.90
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 5310465) is 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is HEWIFKLNTUIORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c1-29-11-8-9-12(15(10-11)31-3)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-6-4-5-7-14(13)30-2/h4-10H,1-3H3,(H2,22,27)(H,24,28).
What are the key properties of 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 5310465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).