N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine

C14H15N5O2 — CID 53237485

IUPACN-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
SMILESc1coc(CNc2ncnc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C14H15N5O2/c1-3-10(20-5-1)7-15-13-12-14(17-8-16-13)19(9-18-12)11-4-2-6-21-11/h1,3,5,8-9,11H,2,4,6-7H2,(H,15,16,17)
InChIKeyJOYIPGMQUYRXNO-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.34
Rot. Bonds4

About N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine

N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine (PubChem CID 53237485) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
PubChem CID53237485
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine
SMILESc1coc(CNc2ncnc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C14H15N5O2/c1-3-10(20-5-1)7-15-13-12-14(17-8-16-13)19(9-18-12)11-4-2-6-21-11/h1,3,5,8-9,11H,2,4,6-7H2,(H,15,16,17)
InChIKeyJOYIPGMQUYRXNO-UHFFFAOYSA-N
XLogP2.34
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine (CID 53237485) is N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine is c1coc(CNc2ncnc3c2ncn3C2CCCO2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is JOYIPGMQUYRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-10(20-5-1)7-15-13-12-14(17-8-16-13)19(9-18-12)11-4-2-6-21-11/h1,3,5,8-9,11H,2,4,6-7H2,(H,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine?
N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 285.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 53237485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).