6-(methylamino)-7,9-dihydropurin-8-one

C6H7N5O — CID 11084229

IUPAC6-(methylamino)-7,9-dihydropurin-8-one
SMILESCNc1ncnc2[nH]c(=O)[nH]c12
InChIInChI=1S/C6H7N5O/c1-7-4-3-5(9-2-8-4)11-6(12)10-3/h2H,1H3,(H3,7,8,9,10,11,12)
InChIKeyWRDFPHCRHWMZJL-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.31
Rot. Bonds1

About 6-(methylamino)-7,9-dihydropurin-8-one

6-(methylamino)-7,9-dihydropurin-8-one (PubChem CID 11084229) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-(methylamino)-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name6-(methylamino)-7,9-dihydropurin-8-one
PubChem CID11084229
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name6-(methylamino)-7,9-dihydropurin-8-one
SMILESCNc1ncnc2[nH]c(=O)[nH]c12
InChIInChI=1S/C6H7N5O/c1-7-4-3-5(9-2-8-4)11-6(12)10-3/h2H,1H3,(H3,7,8,9,10,11,12)
InChIKeyWRDFPHCRHWMZJL-UHFFFAOYSA-N
XLogP-0.31
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-7,9-dihydropurin-8-one?
The IUPAC name of 6-(methylamino)-7,9-dihydropurin-8-one (CID 11084229) is 6-(methylamino)-7,9-dihydropurin-8-one.
What is the SMILES notation for 6-(methylamino)-7,9-dihydropurin-8-one?
The canonical SMILES for 6-(methylamino)-7,9-dihydropurin-8-one is CNc1ncnc2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-(methylamino)-7,9-dihydropurin-8-one?
The InChIKey is WRDFPHCRHWMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-7-4-3-5(9-2-8-4)11-6(12)10-3/h2H,1H3,(H3,7,8,9,10,11,12).
What are the key properties of 6-(methylamino)-7,9-dihydropurin-8-one?
6-(methylamino)-7,9-dihydropurin-8-one has a molecular weight of 165.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-7,9-dihydropurin-8-one is sourced from PubChem (CID 11084229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).