8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine

C11H16N6O — CID 114608026

IUPAC8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine
SMILESNCC1(c2nc3ncnc(N)c3[nH]2)CCOCC1
InChIInChI=1S/C11H16N6O/c12-5-11(1-3-18-4-2-11)10-16-7-8(13)14-6-15-9(7)17-10/h6H,1-5,12H2,(H3,13,14,15,16,17)
InChIKeyUDMKJDXXVOIVEF-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.06
Rot. Bonds2

About 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine

8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine (PubChem CID 114608026) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine
PubChem CID114608026
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine
SMILESNCC1(c2nc3ncnc(N)c3[nH]2)CCOCC1
InChIInChI=1S/C11H16N6O/c12-5-11(1-3-18-4-2-11)10-16-7-8(13)14-6-15-9(7)17-10/h6H,1-5,12H2,(H3,13,14,15,16,17)
InChIKeyUDMKJDXXVOIVEF-UHFFFAOYSA-N
XLogP-0.06
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine?
The IUPAC name of 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine (CID 114608026) is 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine.
What is the SMILES notation for 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine?
The canonical SMILES for 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine is NCC1(c2nc3ncnc(N)c3[nH]2)CCOCC1.
What is the InChIKey of 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine?
The InChIKey is UDMKJDXXVOIVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-5-11(1-3-18-4-2-11)10-16-7-8(13)14-6-15-9(7)17-10/h6H,1-5,12H2,(H3,13,14,15,16,17).
What are the key properties of 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine?
8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine has a molecular weight of 248.29 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(aminomethyl)oxan-4-yl]-7H-purin-6-amine is sourced from PubChem (CID 114608026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).