8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione

C13H13N5O3 — CID 56855762

IUPAC8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione
SMILESCOc1ncccc1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C
InChIInChI=1S/C13H13N5O3/c1-17-8-10(18(2)13(20)16-11(8)19)15-9(17)7-5-4-6-14-12(7)21-3/h4-6H,1-3H3,(H,16,19,20)
InChIKeyAVXBBKCAVRZSFR-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.03
Rot. Bonds2

About 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione

8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione (PubChem CID 56855762) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione
PubChem CID56855762
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione
SMILESCOc1ncccc1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C
InChIInChI=1S/C13H13N5O3/c1-17-8-10(18(2)13(20)16-11(8)19)15-9(17)7-5-4-6-14-12(7)21-3/h4-6H,1-3H3,(H,16,19,20)
InChIKeyAVXBBKCAVRZSFR-UHFFFAOYSA-N
XLogP0.03
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione with MolForge

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Related Compounds

8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
CID 115925725
5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
CID 154778624
3,7-dimethyl-8-(2-quinolin-8-yloxyethylamino)purine-2,6-dione
CID 134706216
5-(2-chloroethyl)-6-(2-methoxy-3-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 162720138
ethyl 5-(2-methoxy-3-pyridinyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55184011
1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
CID 171562708
7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-(4-methylphenoxy)purine-2,6-dione
CID 99806395
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(3-methylphenoxy)purine-2,6-dione
CID 91901269
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one
CID 90903127
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-phenoxypurine-2,6-dione
CID 91901253
8-(benzylamino)-3,7-dimethylpurine-2,6-dione
CID 677712

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione (CID 56855762) is 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione is COc1ncccc1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C.
What is the InChIKey of 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione?
The InChIKey is AVXBBKCAVRZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-17-8-10(18(2)13(20)16-11(8)19)15-9(17)7-5-4-6-14-12(7)21-3/h4-6H,1-3H3,(H,16,19,20).
What are the key properties of 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione?
8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione has a molecular weight of 287.28 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 56855762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).