6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine

C11H16N6O — CID 104623942

IUPAC6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
SMILESNc1nc(NCCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c12-11-16-9(8-10(17-11)15-6-14-8)13-3-1-7-2-4-18-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
InChIKeyLWIIGURAOBOMJL-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.77
Rot. Bonds4

About 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine

6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 104623942) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID104623942
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
SMILESNc1nc(NCCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c12-11-16-9(8-10(17-11)15-6-14-8)13-3-1-7-2-4-18-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
InChIKeyLWIIGURAOBOMJL-UHFFFAOYSA-N
XLogP0.77
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785045
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131324

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine (CID 104623942) is 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine is Nc1nc(NCCC2CCOC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is LWIIGURAOBOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-11-16-9(8-10(17-11)15-6-14-8)13-3-1-7-2-4-18-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17).
What are the key properties of 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 104623942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).