2-methyl-1,7-dihydropurin-6-one

C6H6N4O — CID 135449674

IUPAC2-methyl-1,7-dihydropurin-6-one
SMILESCc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyJXLWCABYHOMQHE-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.05
Rot. Bonds

About 2-methyl-1,7-dihydropurin-6-one

2-methyl-1,7-dihydropurin-6-one (PubChem CID 135449674) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methyl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-methyl-1,7-dihydropurin-6-one
PubChem CID135449674
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-methyl-1,7-dihydropurin-6-one
SMILESCc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyJXLWCABYHOMQHE-UHFFFAOYSA-N
XLogP-0.05
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
CID 135997841
CID 135997841
sodium 6-oxo-1,7-dihydropurine-2-thiolate
CID 135547004
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
1,7-dihydropurin-6-one
CID 135546991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,7-dihydropurin-6-one?
The IUPAC name of 2-methyl-1,7-dihydropurin-6-one (CID 135449674) is 2-methyl-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-methyl-1,7-dihydropurin-6-one?
The canonical SMILES for 2-methyl-1,7-dihydropurin-6-one is Cc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-methyl-1,7-dihydropurin-6-one?
The InChIKey is JXLWCABYHOMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11).
What are the key properties of 2-methyl-1,7-dihydropurin-6-one?
2-methyl-1,7-dihydropurin-6-one has a molecular weight of 150.14 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135449674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).