N-(furan-2-ylmethyl)-7H-purin-6-amine

C20H18N10O2 — CID 19706488

IUPACN-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESc1coc(CNc2ncnc3nc[nH]c23)c1.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/2C10H9N5O/c2*1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h2*1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyGQOHDKQIWWRRQN-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.12
Rot. Bonds6

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

N-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 19706488) has the molecular formula C20H18N10O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID19706488
Molecular FormulaC20H18N10O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESc1coc(CNc2ncnc3nc[nH]c23)c1.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/2C10H9N5O/c2*1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h2*1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyGQOHDKQIWWRRQN-UHFFFAOYSA-N
XLogP3.12
TPSA159.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine (CID 19706488) is N-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-7H-purin-6-amine is c1coc(CNc2ncnc3nc[nH]c23)c1.c1coc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is GQOHDKQIWWRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N5O/c2*1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h2*1-3,5-6H,4H2,(H2,11,12,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-7H-purin-6-amine?
N-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 430.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 19706488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).