2-methyl-2-(methylamino)-1H-purin-6-one

C7H9N5O — CID 22734526

IUPAC2-methyl-2-(methylamino)-1H-purin-6-one
SMILESCNC1(C)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C7H9N5O/c1-7(8-2)11-5-4(6(13)12-7)9-3-10-5/h3,8H,1-2H3,(H,12,13)
InChIKeyOAYYNFHMUFEJLX-UHFFFAOYSA-N
MW179.18 g/mol
LogP-1.11
Rot. Bonds1

About 2-methyl-2-(methylamino)-1H-purin-6-one

2-methyl-2-(methylamino)-1H-purin-6-one (PubChem CID 22734526) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1H-purin-6-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1H-purin-6-one
PubChem CID22734526
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-methyl-2-(methylamino)-1H-purin-6-one
SMILESCNC1(C)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C7H9N5O/c1-7(8-2)11-5-4(6(13)12-7)9-3-10-5/h3,8H,1-2H3,(H,12,13)
InChIKeyOAYYNFHMUFEJLX-UHFFFAOYSA-N
XLogP-1.11
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1H-purin-6-one?
The IUPAC name of 2-methyl-2-(methylamino)-1H-purin-6-one (CID 22734526) is 2-methyl-2-(methylamino)-1H-purin-6-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1H-purin-6-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1H-purin-6-one is CNC1(C)N=C2N=CN=C2C(=O)N1.
What is the InChIKey of 2-methyl-2-(methylamino)-1H-purin-6-one?
The InChIKey is OAYYNFHMUFEJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-7(8-2)11-5-4(6(13)12-7)9-3-10-5/h3,8H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(methylamino)-1H-purin-6-one?
2-methyl-2-(methylamino)-1H-purin-6-one has a molecular weight of 179.18 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1H-purin-6-one is sourced from PubChem (CID 22734526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).