9-Methylguanine

C6H7N5O — CID 135403591

IUPAC2-amino-9-methyl-1H-purin-6-one
SMILESCN1C=NC2=C1N=C(NC2=O)N
InChIInChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyUUWJNBOCAPUTBK-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.90
Rot. Bonds

About 9-Methylguanine

9-Methylguanine (PubChem CID 135403591) has the molecular formula C6H7N5O and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-amino-9-methyl-1H-purin-6-one.

Molecular Properties

Compound Name9-Methylguanine
PubChem CID135403591
Molecular FormulaC6H7N5O
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name2-amino-9-methyl-1H-purin-6-one
SMILESCN1C=NC2=C1N=C(NC2=O)N
InChIInChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKeyUUWJNBOCAPUTBK-UHFFFAOYSA-N
XLogP-0.90
TPSA85.30 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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Related Compounds

Caffeine
CID 2519
Theophylline
CID 2153
Theobromine
CID 5429
Guanine
CID 135398634
Acyclovir
CID 135398513
Xanthine
CID 1188
Paraxanthine
CID 4687
5-Aminoimidazole-4-carboxamide
CID 9679
Hypoxanthine
CID 135398638
Temozolomide
CID 5394
7-Methylxanthine
CID 68374
Dacarbazine
CID 135398738

Frequently Asked Questions

What is the IUPAC name of 9-Methylguanine?
The IUPAC name of 9-Methylguanine (CID 135403591) is 2-amino-9-methyl-1H-purin-6-one.
What is the SMILES notation for 9-Methylguanine?
The canonical SMILES for 9-Methylguanine is CN1C=NC2=C1N=C(NC2=O)N.
What is the InChIKey of 9-Methylguanine?
The InChIKey is UUWJNBOCAPUTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12).
What are the key properties of 9-Methylguanine?
9-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 9-Methylguanine is sourced from PubChem (CID 135403591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).