8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione

C12H11N5O3 — CID 115925725

IUPAC8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
SMILESCOc1ncccc1-c1nc2c([nH]1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C12H11N5O3/c1-17-9-7(10(18)16-12(17)19)14-8(15-9)6-4-3-5-13-11(6)20-2/h3-5H,1-2H3,(H,14,15)(H,16,18,19)
InChIKeySKRCRRAJUMYONU-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.02
Rot. Bonds2

About 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione

8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione (PubChem CID 115925725) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
PubChem CID115925725
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
SMILESCOc1ncccc1-c1nc2c([nH]1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C12H11N5O3/c1-17-9-7(10(18)16-12(17)19)14-8(15-9)6-4-3-5-13-11(6)20-2/h3-5H,1-2H3,(H,14,15)(H,16,18,19)
InChIKeySKRCRRAJUMYONU-UHFFFAOYSA-N
XLogP0.02
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione
CID 56855762
5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
CID 154778624
8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569089
8-(4-fluoro-3-methoxyphenyl)-3-methyl-7H-purine-2,6-dione
CID 115765308
8-(3-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 112688099
8-(2,5-dichlorothiophen-3-yl)-3-methyl-7H-purine-2,6-dione
CID 107963375
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-(2-methoxy-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82000881
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
8-(4-chloro-3-methylphenyl)-3-methyl-7H-purine-2,6-dione
CID 103975199
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
CID 171562708

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione (CID 115925725) is 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione is COc1ncccc1-c1nc2c([nH]1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione?
The InChIKey is SKRCRRAJUMYONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-17-9-7(10(18)16-12(17)19)14-8(15-9)6-4-3-5-13-11(6)20-2/h3-5H,1-2H3,(H,14,15)(H,16,18,19).
What are the key properties of 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione?
8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione has a molecular weight of 273.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 115925725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).