2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

C20H17N5O5 — CID 7196975

IUPAC2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1O
InChIInChI=1S/C20H17N5O5/c1-29-13-6-4-3-5-11(13)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)10-7-8-14(30-2)12(26)9-10/h3-9,26H,1-2H3,(H2,21,27)(H,23,28)
InChIKeyRZISVDPNUFOTIK-UHFFFAOYSA-N
MW407.39 g/mol
LogP1.60
Rot. Bonds5

About 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7196975) has the molecular formula C20H17N5O5 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7196975
Molecular FormulaC20H17N5O5
Molecular Weight407.39 g/mol
Exact Mass407.12
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1O
InChIInChI=1S/C20H17N5O5/c1-29-13-6-4-3-5-11(13)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)10-7-8-14(30-2)12(26)9-10/h3-9,26H,1-2H3,(H2,21,27)(H,23,28)
InChIKeyRZISVDPNUFOTIK-UHFFFAOYSA-N
XLogP1.60
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

compound 5a (PMID: 27536893)
CID 7196946
2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7422842
2-(4-ethoxyphenyl)-N-hydroxy-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 130299086
2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 3239826
9-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 3245989
9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310248
2-(4-ethylphenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310250
2-(2,3-dimethoxyphenyl)-8-oxo-9-phenyl-8,9-dihydro-7H-purine-6-carboxamide
CID 5310448
2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310465
9-(2-methoxyphenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
CID 5310588
7-methyl-9-(3-methylphenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
CID 16029299
Ethyl 2-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purin-7-YL]acetate
CID 16029361

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 7196975) is 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is RZISVDPNUFOTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5/c1-29-13-6-4-3-5-11(13)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)10-7-8-14(30-2)12(26)9-10/h3-9,26H,1-2H3,(H2,21,27)(H,23,28).
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7196975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).