2-Methyl-9H-purine

C6H6N4 — CID 70279

IUPAC2-methyl-7H-purine
SMILESCC1=NC=C2C(=N1)N=CN2
InChIInChI=1S/C6H6N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKeyKMEBCRWKZZSRRT-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.50
Rot. Bonds

About 2-Methyl-9H-purine

2-Methyl-9H-purine (PubChem CID 70279) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-methyl-7H-purine.

Molecular Properties

Compound Name2-Methyl-9H-purine
PubChem CID70279
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2-methyl-7H-purine
SMILESCC1=NC=C2C(=N1)N=CN2
InChIInChI=1S/C6H6N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKeyKMEBCRWKZZSRRT-UHFFFAOYSA-N
XLogP0.50
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Purine
CID 1044
6-Dimethylaminopurine
CID 3134
Isopentenyladenine
CID 92180
N6-Methyladenine
CID 67955
2-Fluoroadenine
CID 12790
Adenine hydrochloride
CID 76219
2-Methyladenine
CID 15048
8-(Methylthio)purine
CID 95217
2-Chloroadenine
CID 94904

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-9H-purine?
The IUPAC name of 2-Methyl-9H-purine (CID 70279) is 2-methyl-7H-purine.
What is the SMILES notation for 2-Methyl-9H-purine?
The canonical SMILES for 2-Methyl-9H-purine is CC1=NC=C2C(=N1)N=CN2.
What is the InChIKey of 2-Methyl-9H-purine?
The InChIKey is KMEBCRWKZZSRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 2-Methyl-9H-purine?
2-Methyl-9H-purine has a molecular weight of 134.14 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-9H-purine is sourced from PubChem (CID 70279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).