9-(methoxymethyl)purine

C7H8N4O — CID 102219133

IUPAC9-(methoxymethyl)purine
SMILESCOCn1cnc2cncnc21
InChIInChI=1S/C7H8N4O/c1-12-5-11-4-10-6-2-8-3-9-7(6)11/h2-4H,5H2,1H3
InChIKeyKYFRKKPRYHWXGT-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.43
Rot. Bonds2

About 9-(methoxymethyl)purine

9-(methoxymethyl)purine (PubChem CID 102219133) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 9-(methoxymethyl)purine.

Molecular Properties

Compound Name9-(methoxymethyl)purine
PubChem CID102219133
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name9-(methoxymethyl)purine
SMILESCOCn1cnc2cncnc21
InChIInChI=1S/C7H8N4O/c1-12-5-11-4-10-6-2-8-3-9-7(6)11/h2-4H,5H2,1H3
InChIKeyKYFRKKPRYHWXGT-UHFFFAOYSA-N
XLogP0.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
9-Ethyladenine
CID 7
Rociclovir
CID 65905
8-Ethoxy-9-ethyladenine
CID 11805896
2-chloro-9-methyl-9H-purine
CID 7147173
Triazolopyrimidine
CID 64962
Desciclovir
CID 55256
[2-(Purin-9-yl)ethyl]-bisphosphonic acid
CID 25140171
9-Propyl-9h-purin-6-amine
CID 247436
N,N,9-Trimethyl-9H-purin-6-amine
CID 221105
Detiviciclovir
CID 3025970

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)purine?
The IUPAC name of 9-(methoxymethyl)purine (CID 102219133) is 9-(methoxymethyl)purine.
What is the SMILES notation for 9-(methoxymethyl)purine?
The canonical SMILES for 9-(methoxymethyl)purine is COCn1cnc2cncnc21.
What is the InChIKey of 9-(methoxymethyl)purine?
The InChIKey is KYFRKKPRYHWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-12-5-11-4-10-6-2-8-3-9-7(6)11/h2-4H,5H2,1H3.
What are the key properties of 9-(methoxymethyl)purine?
9-(methoxymethyl)purine has a molecular weight of 164.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)purine is sourced from PubChem (CID 102219133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).