1-Methylguanine

C6H7N5O — CID 70315

IUPAC2-amino-1-methyl-7H-purin-6-one
SMILESCN1C(=O)C2=C(N=CN2)N=C1N
InChIInChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChIKeyRFLVMTUMFYRZCB-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.90
Rot. Bonds

About 1-Methylguanine

1-Methylguanine (PubChem CID 70315) has the molecular formula C6H7N5O and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-amino-1-methyl-7H-purin-6-one.

Molecular Properties

Compound Name1-Methylguanine
PubChem CID70315
Molecular FormulaC6H7N5O
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name2-amino-1-methyl-7H-purin-6-one
SMILESCN1C(=O)C2=C(N=CN2)N=C1N
InChIInChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChIKeyRFLVMTUMFYRZCB-UHFFFAOYSA-N
XLogP-0.90
TPSA87.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity250

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-Methylguanine?
The IUPAC name of 1-Methylguanine (CID 70315) is 2-amino-1-methyl-7H-purin-6-one.
What is the SMILES notation for 1-Methylguanine?
The canonical SMILES for 1-Methylguanine is CN1C(=O)C2=C(N=CN2)N=C1N.
What is the InChIKey of 1-Methylguanine?
The InChIKey is RFLVMTUMFYRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9).
What are the key properties of 1-Methylguanine?
1-Methylguanine has a molecular weight of 165.15 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methylguanine is sourced from PubChem (CID 70315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).