2,8,9-trimethylpurine

C8H10N4 — CID 10725677

IUPAC2,8,9-trimethylpurine
SMILESCc1ncc2nc(C)n(C)c2n1
InChIInChI=1S/C8H10N4/c1-5-9-4-7-8(10-5)12(3)6(2)11-7/h4H,1-3H3
InChIKeyBCBYSUAKADTZMV-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.98
Rot. Bonds

About 2,8,9-trimethylpurine

2,8,9-trimethylpurine (PubChem CID 10725677) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2,8,9-trimethylpurine.

Molecular Properties

Compound Name2,8,9-trimethylpurine
PubChem CID10725677
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2,8,9-trimethylpurine
SMILESCc1ncc2nc(C)n(C)c2n1
InChIInChI=1S/C8H10N4/c1-5-9-4-7-8(10-5)12(3)6(2)11-7/h4H,1-3H3
InChIKeyBCBYSUAKADTZMV-UHFFFAOYSA-N
XLogP0.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
8-Bromo-9-ethyladenine
CID 5248753
9H-Purin-6-amine, N,9-dimethyl-
CID 94845
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
9-Ethyladenine
CID 7
9-(3-Methyl-but-2-enyl)-9H-purin-6-ylamine
CID 10655770
Rociclovir
CID 65905
9-cyclopropyl-9H-purin-6-amine
CID 414708
2-chloro-9-methyl-9H-purine
CID 7147173

Frequently Asked Questions

What is the IUPAC name of 2,8,9-trimethylpurine?
The IUPAC name of 2,8,9-trimethylpurine (CID 10725677) is 2,8,9-trimethylpurine.
What is the SMILES notation for 2,8,9-trimethylpurine?
The canonical SMILES for 2,8,9-trimethylpurine is Cc1ncc2nc(C)n(C)c2n1.
What is the InChIKey of 2,8,9-trimethylpurine?
The InChIKey is BCBYSUAKADTZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-9-4-7-8(10-5)12(3)6(2)11-7/h4H,1-3H3.
What are the key properties of 2,8,9-trimethylpurine?
2,8,9-trimethylpurine has a molecular weight of 162.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,9-trimethylpurine is sourced from PubChem (CID 10725677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).