2-ethoxy-6-methyl-7H-purine

C8H10N4O — CID 119081784

IUPAC2-ethoxy-6-methyl-7H-purine
SMILESCCOc1nc(C)c2[nH]cnc2n1
InChIInChI=1S/C8H10N4O/c1-3-13-8-11-5(2)6-7(12-8)10-4-9-6/h4H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyHKYGSZHNEATMSM-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.06
Rot. Bonds2

About 2-ethoxy-6-methyl-7H-purine

2-ethoxy-6-methyl-7H-purine (PubChem CID 119081784) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-7H-purine.

Molecular Properties

Compound Name2-ethoxy-6-methyl-7H-purine
PubChem CID119081784
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-ethoxy-6-methyl-7H-purine
SMILESCCOc1nc(C)c2[nH]cnc2n1
InChIInChI=1S/C8H10N4O/c1-3-13-8-11-5(2)6-7(12-8)10-4-9-6/h4H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyHKYGSZHNEATMSM-UHFFFAOYSA-N
XLogP1.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-6-methyl-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-methoxy-7H-purine
CID 82391133
6-ethyl-2-methyl-7H-purine
CID 176927465
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
(2-methyl-7H-purin-6-yl)azanide;tungsten
CID 58774197
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
2-amino-1-chloro-7H-purin-6-one;ethyl acetate
CID 87238739
O-(2-aminooxy-7H-purin-6-yl)hydroxylamine
CID 141030940
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-ethoxy-4-methylquinazoline
CID 119090312
2-ethyl-7H-purin-6-amine
CID 19795383

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-7H-purine?
The IUPAC name of 2-ethoxy-6-methyl-7H-purine (CID 119081784) is 2-ethoxy-6-methyl-7H-purine.
What is the SMILES notation for 2-ethoxy-6-methyl-7H-purine?
The canonical SMILES for 2-ethoxy-6-methyl-7H-purine is CCOc1nc(C)c2[nH]cnc2n1.
What is the InChIKey of 2-ethoxy-6-methyl-7H-purine?
The InChIKey is HKYGSZHNEATMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-13-8-11-5(2)6-7(12-8)10-4-9-6/h4H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 2-ethoxy-6-methyl-7H-purine?
2-ethoxy-6-methyl-7H-purine has a molecular weight of 178.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-7H-purine is sourced from PubChem (CID 119081784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).