3-amino-1-methylpurin-2-one

C6H7N5O — CID 69254134

IUPAC3-amino-1-methylpurin-2-one
SMILESCn1cc2ncnc-2n(N)c1=O
InChIInChI=1S/C6H7N5O/c1-10-2-4-5(9-3-8-4)11(7)6(10)12/h2-3H,7H2,1H3
InChIKeyMQNYHEHRKQQNEB-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.20
Rot. Bonds

About 3-amino-1-methylpurin-2-one

3-amino-1-methylpurin-2-one (PubChem CID 69254134) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-amino-1-methylpurin-2-one.

Molecular Properties

Compound Name3-amino-1-methylpurin-2-one
PubChem CID69254134
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name3-amino-1-methylpurin-2-one
SMILESCn1cc2ncnc-2n(N)c1=O
InChIInChI=1S/C6H7N5O/c1-10-2-4-5(9-3-8-4)11(7)6(10)12/h2-3H,7H2,1H3
InChIKeyMQNYHEHRKQQNEB-UHFFFAOYSA-N
XLogP-1.20
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethylpurin-2-one
CID 20781927
3-Amino-1-methyl-7,8-dihydropurin-2-one
CID 173152077

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpurin-2-one?
The IUPAC name of 3-amino-1-methylpurin-2-one (CID 69254134) is 3-amino-1-methylpurin-2-one.
What is the SMILES notation for 3-amino-1-methylpurin-2-one?
The canonical SMILES for 3-amino-1-methylpurin-2-one is Cn1cc2ncnc-2n(N)c1=O.
What is the InChIKey of 3-amino-1-methylpurin-2-one?
The InChIKey is MQNYHEHRKQQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-10-2-4-5(9-3-8-4)11(7)6(10)12/h2-3H,7H2,1H3.
What are the key properties of 3-amino-1-methylpurin-2-one?
3-amino-1-methylpurin-2-one has a molecular weight of 165.16 g/mol, XLogP of -1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpurin-2-one is sourced from PubChem (CID 69254134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).