N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine

C13H13N5O — CID 142335220

IUPACN-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
SMILESC=C(C)n1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C13H13N5O/c1-9(2)18-8-17-11-12(15-7-16-13(11)18)14-6-10-4-3-5-19-10/h3-5,7-8H,1,6H2,2H3,(H,14,15,16)
InChIKeyNKZTZPUBHUEBEO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.52
Rot. Bonds4

About N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine

N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine (PubChem CID 142335220) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
PubChem CID142335220
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
SMILESC=C(C)n1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C13H13N5O/c1-9(2)18-8-17-11-12(15-7-16-13(11)18)14-6-10-4-3-5-19-10/h3-5,7-8H,1,6H2,2H3,(H,14,15,16)
InChIKeyNKZTZPUBHUEBEO-UHFFFAOYSA-N
XLogP2.52
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237481
9-(4-bromobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237267
4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
CID 53237483
(2R,3R,4R,5S)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 6604676
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
N-(furan-2-ylmethyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 162654166
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
6-chloro-4-[[6-(furan-2-ylmethylamino)purin-9-yl]methyl]chromen-2-one
CID 155811641
N-(furan-2-ylmethyl)-7H-purin-6-amine;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
CID 67324836

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine (CID 142335220) is N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine is C=C(C)n1cnc2c(NCc3ccco3)ncnc21.
What is the InChIKey of N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine?
The InChIKey is NKZTZPUBHUEBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9(2)18-8-17-11-12(15-7-16-13(11)18)14-6-10-4-3-5-19-10/h3-5,7-8H,1,6H2,2H3,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine?
N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine is sourced from PubChem (CID 142335220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).