N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine

C13H15N5O2 — CID 172904500

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine
SMILESCOC(CNc1ncnc2c1ncn2C)c1ccco1
InChIInChI=1S/C13H15N5O2/c1-18-8-17-11-12(15-7-16-13(11)18)14-6-10(19-2)9-4-3-5-20-9/h3-5,7-8,10H,6H2,1-2H3,(H,14,15,16)
InChIKeyVPXATYUTAQBBCG-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine

N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine (PubChem CID 172904500) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine
PubChem CID172904500
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine
SMILESCOC(CNc1ncnc2c1ncn2C)c1ccco1
InChIInChI=1S/C13H15N5O2/c1-18-8-17-11-12(15-7-16-13(11)18)14-6-10(19-2)9-4-3-5-20-9/h3-5,7-8,10H,6H2,1-2H3,(H,14,15,16)
InChIKeyVPXATYUTAQBBCG-UHFFFAOYSA-N
XLogP1.76
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine (CID 172904500) is N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine is COC(CNc1ncnc2c1ncn2C)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine?
The InChIKey is VPXATYUTAQBBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-18-8-17-11-12(15-7-16-13(11)18)14-6-10(19-2)9-4-3-5-20-9/h3-5,7-8,10H,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine?
N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine has a molecular weight of 273.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine is sourced from PubChem (CID 172904500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).