N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine

C12H11N5O — CID 118317193

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine
SMILESC(=C/c1ccco1)\CNc1ncnc2nc[nH]c12
InChIInChI=1S/C12H11N5O/c1(3-9-4-2-6-18-9)5-13-11-10-12(15-7-14-10)17-8-16-11/h1-4,6-8H,5H2,(H2,13,14,15,16,17)/b3-1+
InChIKeyGFTWICWFYZGESF-HNQUOIGGSA-N
MW241.25 g/mol
LogP2.07
Rot. Bonds4

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine (PubChem CID 118317193) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine
PubChem CID118317193
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine
SMILESC(=C/c1ccco1)\CNc1ncnc2nc[nH]c12
InChIInChI=1S/C12H11N5O/c1(3-9-4-2-6-18-9)5-13-11-10-12(15-7-14-10)17-8-16-11/h1-4,6-8H,5H2,(H2,13,14,15,16,17)/b3-1+
InChIKeyGFTWICWFYZGESF-HNQUOIGGSA-N
XLogP2.07
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine (CID 118317193) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine is C(=C/c1ccco1)\CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine?
The InChIKey is GFTWICWFYZGESF-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H11N5O/c1(3-9-4-2-6-18-9)5-13-11-10-12(15-7-14-10)17-8-16-11/h1-4,6-8H,5H2,(H2,13,14,15,16,17)/b3-1+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine has a molecular weight of 241.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-7H-purin-6-amine is sourced from PubChem (CID 118317193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).