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

C16H17N5O4 — CID 7599567

IUPAC9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide
SMILESCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3OC)c2n1
InChIInChI=1S/C16H17N5O4/c1-4-10-18-11(14(17)22)12-15(19-10)21(16(23)20-12)8-6-5-7-9(24-2)13(8)25-3/h5-7H,4H2,1-3H3,(H2,17,22)(H,20,23)
InChIKeyPADKLIFTKMNZDG-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.79
Rot. Bonds5

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

9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide (PubChem CID 7599567) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide
PubChem CID7599567
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide
SMILESCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3OC)c2n1
InChIInChI=1S/C16H17N5O4/c1-4-10-18-11(14(17)22)12-15(19-10)21(16(23)20-12)8-6-5-7-9(24-2)13(8)25-3/h5-7H,4H2,1-3H3,(H2,17,22)(H,20,23)
InChIKeyPADKLIFTKMNZDG-UHFFFAOYSA-N
XLogP0.79
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-(2,3-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135787636
9-(2,3-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599574
2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 18582767
2,9-bis(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960109
9-(3-methoxyphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide
CID 7599602
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
2-(2-hydroxyethylamino)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 57474695
2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 57474731
2-(2-chloro-6-fluorophenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960096
9-(2,6-difluorophenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide
CID 7599455
[3-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]phenyl]methylcarbamic acid
CID 68895817

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide (CID 7599567) is 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide is CCc1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(OC)c3OC)c2n1.
What is the InChIKey of 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
The InChIKey is PADKLIFTKMNZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-4-10-18-11(14(17)22)12-15(19-10)21(16(23)20-12)8-6-5-7-9(24-2)13(8)25-3/h5-7H,4H2,1-3H3,(H2,17,22)(H,20,23).
What are the key properties of 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7599567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).