6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine

C14H21N5O2 — CID 114788027

IUPAC6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(OC2CC(C)OC(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H21N5O2/c1-4-15-14-18-12-11(16-7-17-12)13(19-14)21-10-5-8(2)20-9(3)6-10/h7-10H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyDUHPYDXGCCDXKL-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.12
Rot. Bonds4

About 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine

6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine (PubChem CID 114788027) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
PubChem CID114788027
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(OC2CC(C)OC(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H21N5O2/c1-4-15-14-18-12-11(16-7-17-12)13(19-14)21-10-5-8(2)20-9(3)6-10/h7-10H,4-6H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyDUHPYDXGCCDXKL-UHFFFAOYSA-N
XLogP2.12
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine 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

N-ethyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786879
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
CID 114787729
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine (CID 114788027) is 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine is CCNc1nc(OC2CC(C)OC(C)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine?
The InChIKey is DUHPYDXGCCDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-15-14-18-12-11(16-7-17-12)13(19-14)21-10-5-8(2)20-9(3)6-10/h7-10H,4-6H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine?
6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine has a molecular weight of 291.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114788027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).