2-amino-9-methyl-4,5-dihydro-1H-purin-6-one

C6H9N5O — CID 59831272

IUPAC2-amino-9-methyl-4,5-dihydro-1H-purin-6-one
SMILESCN1C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C6H9N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2-4H,1H3,(H3,7,9,10,12)
InChIKeyRGSMQOKAAHVNLU-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.90
Rot. Bonds

About 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one

2-amino-9-methyl-4,5-dihydro-1H-purin-6-one (PubChem CID 59831272) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-methyl-4,5-dihydro-1H-purin-6-one
PubChem CID59831272
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2-amino-9-methyl-4,5-dihydro-1H-purin-6-one
SMILESCN1C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C6H9N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2-4H,1H3,(H3,7,9,10,12)
InChIKeyRGSMQOKAAHVNLU-UHFFFAOYSA-N
XLogP-1.90
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one (CID 59831272) is 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one is CN1C=NC2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one?
The InChIKey is RGSMQOKAAHVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2-4H,1H3,(H3,7,9,10,12).
What are the key properties of 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one?
2-amino-9-methyl-4,5-dihydro-1H-purin-6-one has a molecular weight of 167.17 g/mol, XLogP of -1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-4,5-dihydro-1H-purin-6-one is sourced from PubChem (CID 59831272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).