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

C27H23N5O5 — CID 16822606

IUPAC9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(OCc5ccccc5)cc4)nc32)c(OC)c1
InChIInChI=1S/C27H23N5O5/c1-35-19-12-13-20(21(14-19)36-2)32-26-23(30-27(32)34)22(24(28)33)29-25(31-26)17-8-10-18(11-9-17)37-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,28,33)(H,30,34)
InChIKeyZVHPPJLKPMNCGO-UHFFFAOYSA-N
MW497.51 g/mol
LogP3.47
Rot. Bonds8

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

9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide (PubChem CID 16822606) has the molecular formula C27H23N5O5 and a molecular weight of 497.51 g/mol. Its IUPAC name is 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide
PubChem CID16822606
Molecular FormulaC27H23N5O5
Molecular Weight497.51 g/mol
Exact Mass497.17
IUPAC Name9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(OCc5ccccc5)cc4)nc32)c(OC)c1
InChIInChI=1S/C27H23N5O5/c1-35-19-12-13-20(21(14-19)36-2)32-26-23(30-27(32)34)22(24(28)33)29-25(31-26)17-8-10-18(11-9-17)37-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,28,33)(H,30,34)
InChIKeyZVHPPJLKPMNCGO-UHFFFAOYSA-N
XLogP3.47
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680402
9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267838
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267785
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
[3-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]phenyl]methylcarbamic acid
CID 68895817
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
CID 16810176
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297
9-(2,3-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135787636
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide (CID 16822606) is 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide is COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(OCc5ccccc5)cc4)nc32)c(OC)c1.
What is the InChIKey of 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide?
The InChIKey is ZVHPPJLKPMNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O5/c1-35-19-12-13-20(21(14-19)36-2)32-26-23(30-27(32)34)22(24(28)33)29-25(31-26)17-8-10-18(11-9-17)37-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H2,28,33)(H,30,34).
What are the key properties of 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide?
9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide is sourced from PubChem (CID 16822606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).