2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine

C12H13N5O — CID 175456635

IUPAC2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine
SMILESCCc1nc(Cc2ccco2)c2[nH]c(N)nc2n1
InChIInChI=1S/C12H13N5O/c1-2-9-14-8(6-7-4-3-5-18-7)10-11(15-9)17-12(13)16-10/h3-5H,2,6H2,1H3,(H3,13,14,15,16,17)
InChIKeyLQVCEXWZVHEYTO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.68
Rot. Bonds3

About 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine

2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine (PubChem CID 175456635) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine.

Molecular Properties

Compound Name2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine
PubChem CID175456635
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine
SMILESCCc1nc(Cc2ccco2)c2[nH]c(N)nc2n1
InChIInChI=1S/C12H13N5O/c1-2-9-14-8(6-7-4-3-5-18-7)10-11(15-9)17-12(13)16-10/h3-5H,2,6H2,1H3,(H3,13,14,15,16,17)
InChIKeyLQVCEXWZVHEYTO-UHFFFAOYSA-N
XLogP1.68
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine?
The IUPAC name of 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine (CID 175456635) is 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine.
What is the SMILES notation for 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine?
The canonical SMILES for 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine is CCc1nc(Cc2ccco2)c2[nH]c(N)nc2n1.
What is the InChIKey of 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine?
The InChIKey is LQVCEXWZVHEYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-9-14-8(6-7-4-3-5-18-7)10-11(15-9)17-12(13)16-10/h3-5H,2,6H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine?
2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine has a molecular weight of 243.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(furan-2-ylmethyl)-7H-purin-8-amine is sourced from PubChem (CID 175456635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).