2-ethyl-6-propan-2-yloxy-7H-purine

C10H14N4O — CID 123998752

IUPAC2-ethyl-6-propan-2-yloxy-7H-purine
SMILESCCc1nc(OC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C10H14N4O/c1-4-7-13-9-8(11-5-12-9)10(14-7)15-6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyAQBNVGUAIBNIHS-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.70
Rot. Bonds3

About 2-ethyl-6-propan-2-yloxy-7H-purine

2-ethyl-6-propan-2-yloxy-7H-purine (PubChem CID 123998752) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-yloxy-7H-purine.

Molecular Properties

Compound Name2-ethyl-6-propan-2-yloxy-7H-purine
PubChem CID123998752
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-ethyl-6-propan-2-yloxy-7H-purine
SMILESCCc1nc(OC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C10H14N4O/c1-4-7-13-9-8(11-5-12-9)10(14-7)15-6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyAQBNVGUAIBNIHS-UHFFFAOYSA-N
XLogP1.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-propan-2-yloxy-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-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
2-ethyl-7H-purin-6-amine
CID 19795383
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882
6-[(2S)-butan-2-yl]oxy-7H-purine
CID 11819897
6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
CID 114787836
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
6-propan-2-yloxy-7H-purin-1-ium
CID 173328407
5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
6-ethyl-2-methyl-7H-purine
CID 176927465

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-yloxy-7H-purine?
The IUPAC name of 2-ethyl-6-propan-2-yloxy-7H-purine (CID 123998752) is 2-ethyl-6-propan-2-yloxy-7H-purine.
What is the SMILES notation for 2-ethyl-6-propan-2-yloxy-7H-purine?
The canonical SMILES for 2-ethyl-6-propan-2-yloxy-7H-purine is CCc1nc(OC(C)C)c2[nH]cnc2n1.
What is the InChIKey of 2-ethyl-6-propan-2-yloxy-7H-purine?
The InChIKey is AQBNVGUAIBNIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-7-13-9-8(11-5-12-9)10(14-7)15-6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-ethyl-6-propan-2-yloxy-7H-purine?
2-ethyl-6-propan-2-yloxy-7H-purine has a molecular weight of 206.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-yloxy-7H-purine is sourced from PubChem (CID 123998752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).