2-amino-7-methyl-8,9-dihydro-1H-purin-6-one

C6H9N5O — CID 135499688

IUPAC2-amino-7-methyl-8,9-dihydro-1H-purin-6-one
SMILESCN1CNc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C6H9N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
InChIKeyDZHHXMZCVDTUBX-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.83
Rot. Bonds

About 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one

2-amino-7-methyl-8,9-dihydro-1H-purin-6-one (PubChem CID 135499688) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-7-methyl-8,9-dihydro-1H-purin-6-one
PubChem CID135499688
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2-amino-7-methyl-8,9-dihydro-1H-purin-6-one
SMILESCN1CNc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C6H9N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12)
InChIKeyDZHHXMZCVDTUBX-UHFFFAOYSA-N
XLogP-0.83
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one?
The IUPAC name of 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one (CID 135499688) is 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one.
What is the SMILES notation for 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one?
The canonical SMILES for 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one is CN1CNc2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one?
The InChIKey is DZHHXMZCVDTUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H2,1H3,(H4,7,8,9,10,12).
What are the key properties of 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one?
2-amino-7-methyl-8,9-dihydro-1H-purin-6-one has a molecular weight of 167.17 g/mol, XLogP of -0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-8,9-dihydro-1H-purin-6-one is sourced from PubChem (CID 135499688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).