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

C20H16FN5O4 — CID 7267785

IUPAC2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)c(OC)c1
InChIInChI=1S/C20H16FN5O4/c1-29-10-7-8-11(14(9-10)30-2)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)13-6-4-3-5-12(13)21/h3-9H,1-2H3,(H2,22,27)(H,24,28)
InChIKeyRYXRFVWECNGOBV-UHFFFAOYSA-N
MW409.38 g/mol
LogP2.03
Rot. Bonds5

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

2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7267785) has the molecular formula C20H16FN5O4 and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7267785
Molecular FormulaC20H16FN5O4
Molecular Weight409.38 g/mol
Exact Mass409.12
IUPAC Name2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)c(OC)c1
InChIInChI=1S/C20H16FN5O4/c1-29-10-7-8-11(14(9-10)30-2)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)13-6-4-3-5-12(13)21/h3-9H,1-2H3,(H2,22,27)(H,24,28)
InChIKeyRYXRFVWECNGOBV-UHFFFAOYSA-N
XLogP2.03
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
2,9-bis(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960109
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297
9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267838
9-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680402
2-(2-chloro-6-fluorophenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960096
9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide
CID 16822606
9-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603324
2-(2-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422841
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
9-(4-tert-butylphenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16822591

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide (CID 7267785) is 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is RYXRFVWECNGOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O4/c1-29-10-7-8-11(14(9-10)30-2)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)13-6-4-3-5-12(13)21/h3-9H,1-2H3,(H2,22,27)(H,24,28).
What are the key properties of 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 409.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).