6-methoxy-7-methyl-3H-purin-2-one

C7H8N4O2 — CID 131861677

IUPAC6-methoxy-7-methyl-3H-purin-2-one
SMILESCOc1nc(=O)[nH]c2ncn(C)c12
InChIInChI=1S/C7H8N4O2/c1-11-3-8-5-4(11)6(13-2)10-7(12)9-5/h3H,1-2H3,(H,9,10,12)
InChIKeyJJTBSAKYSDGRFY-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.33
Rot. Bonds1

About 6-methoxy-7-methyl-3H-purin-2-one

6-methoxy-7-methyl-3H-purin-2-one (PubChem CID 131861677) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-methoxy-7-methyl-3H-purin-2-one.

Molecular Properties

Compound Name6-methoxy-7-methyl-3H-purin-2-one
PubChem CID131861677
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name6-methoxy-7-methyl-3H-purin-2-one
SMILESCOc1nc(=O)[nH]c2ncn(C)c12
InChIInChI=1S/C7H8N4O2/c1-11-3-8-5-4(11)6(13-2)10-7(12)9-5/h3H,1-2H3,(H,9,10,12)
InChIKeyJJTBSAKYSDGRFY-UHFFFAOYSA-N
XLogP-0.33
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-6-prop-2-enoxy-3H-purin-9-yl)propanenitrile
CID 10657994
methyl N-methyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidate
CID 176650262
6-Ethoxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
CID 13721715
6-Ethoxy-3,7-dimethyl-2-oxo-2,3-dihydropurine ethylate
CID 129778616
6-Ethoxy-8-chloro-3,7-dimethyl-2-oxo-2,3-dihydropurine
CID 129778661
6-Ethoxy-3,7,8-trimethyl-2-oxo-2,3-dihydropurine
CID 129778776
1-Methyl-4-amino-5-(oxazolin-2-yl)imidazole
CID 129797621
3H-purin-2-olate, 6,7-dihydro-3,7-dimethyl-6-oxo-, calcium salt (1:1)
CID 27888
Sodium 3,7-dimethyl-2-oxopurin-6-olate
CID 23697007
6-(2,2,2-Trifluoroethoxy)-3,7-dihydropurin-2-one
CID 119082940
6-methoxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
CID 13721714
6-Methoxy-3-methyl-2,7-dihydropurin-2-amine
CID 57029341

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-3H-purin-2-one?
The IUPAC name of 6-methoxy-7-methyl-3H-purin-2-one (CID 131861677) is 6-methoxy-7-methyl-3H-purin-2-one.
What is the SMILES notation for 6-methoxy-7-methyl-3H-purin-2-one?
The canonical SMILES for 6-methoxy-7-methyl-3H-purin-2-one is COc1nc(=O)[nH]c2ncn(C)c12.
What is the InChIKey of 6-methoxy-7-methyl-3H-purin-2-one?
The InChIKey is JJTBSAKYSDGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-11-3-8-5-4(11)6(13-2)10-7(12)9-5/h3H,1-2H3,(H,9,10,12).
What are the key properties of 6-methoxy-7-methyl-3H-purin-2-one?
6-methoxy-7-methyl-3H-purin-2-one has a molecular weight of 180.17 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-3H-purin-2-one is sourced from PubChem (CID 131861677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).