7-methoxy-1-methylpurin-6-one

C7H8N4O2 — CID 14192026

IUPAC7-methoxy-1-methylpurin-6-one
SMILESCOn1cnc2ncn(C)c(=O)c21
InChIInChI=1S/C7H8N4O2/c1-10-3-8-6-5(7(10)12)11(13-2)4-9-6/h3-4H,1-2H3
InChIKeyQSSDRTDRFJIXEV-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.81
Rot. Bonds1

About 7-methoxy-1-methylpurin-6-one

7-methoxy-1-methylpurin-6-one (PubChem CID 14192026) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 7-methoxy-1-methylpurin-6-one.

Molecular Properties

Compound Name7-methoxy-1-methylpurin-6-one
PubChem CID14192026
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name7-methoxy-1-methylpurin-6-one
SMILESCOn1cnc2ncn(C)c(=O)c21
InChIInChI=1S/C7H8N4O2/c1-10-3-8-6-5(7(10)12)11(13-2)4-9-6/h3-4H,1-2H3
InChIKeyQSSDRTDRFJIXEV-UHFFFAOYSA-N
XLogP-0.81
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,7-dimethylpurin-6-one;propane
CID 142357897
7-methyl-1-(2-sulfanylpropan-2-yl)purin-6-one
CID 155151410
1,7,9-trimethylpurin-9-ium-6-one
CID 10406096
3-methoxy-6-methylpteridin-4-one
CID 595486
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
6-chloro-3-methylpteridin-4-one
CID 91621946
5-iodo-3,6-dimethylpyrimidin-4-one
CID 66342888
2-amino-7-ethoxy-1-methylpurin-6-one
CID 67811579
2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one
CID 139494731
1,3,7-trimethylpurine-2,6-dione
CID 131953138
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787
N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 88569820

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methylpurin-6-one?
The IUPAC name of 7-methoxy-1-methylpurin-6-one (CID 14192026) is 7-methoxy-1-methylpurin-6-one.
What is the SMILES notation for 7-methoxy-1-methylpurin-6-one?
The canonical SMILES for 7-methoxy-1-methylpurin-6-one is COn1cnc2ncn(C)c(=O)c21.
What is the InChIKey of 7-methoxy-1-methylpurin-6-one?
The InChIKey is QSSDRTDRFJIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-10-3-8-6-5(7(10)12)11(13-2)4-9-6/h3-4H,1-2H3.
What are the key properties of 7-methoxy-1-methylpurin-6-one?
7-methoxy-1-methylpurin-6-one has a molecular weight of 180.17 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methylpurin-6-one is sourced from PubChem (CID 14192026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).