6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine

C16H16F3N5O2 — CID 139011328

IUPAC6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine
SMILESCOCc1ccc(C2CCCN2c2nc(C(F)(F)F)nc3nc[nH]c23)o1
InChIInChI=1S/C16H16F3N5O2/c1-25-7-9-4-5-11(26-9)10-3-2-6-24(10)14-12-13(21-8-20-12)22-15(23-14)16(17,18)19/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,21,22,23)
InChIKeyFFEJAULUGAFWKL-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.45
Rot. Bonds4

About 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine

6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine (PubChem CID 139011328) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine.

Molecular Properties

Compound Name6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine
PubChem CID139011328
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine
SMILESCOCc1ccc(C2CCCN2c2nc(C(F)(F)F)nc3nc[nH]c23)o1
InChIInChI=1S/C16H16F3N5O2/c1-25-7-9-4-5-11(26-9)10-3-2-6-24(10)14-12-13(21-8-20-12)22-15(23-14)16(17,18)19/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,21,22,23)
InChIKeyFFEJAULUGAFWKL-UHFFFAOYSA-N
XLogP3.45
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine?
The IUPAC name of 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine (CID 139011328) is 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine.
What is the SMILES notation for 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine?
The canonical SMILES for 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine is COCc1ccc(C2CCCN2c2nc(C(F)(F)F)nc3nc[nH]c23)o1.
What is the InChIKey of 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine?
The InChIKey is FFEJAULUGAFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-25-7-9-4-5-11(26-9)10-3-2-6-24(10)14-12-13(21-8-20-12)22-15(23-14)16(17,18)19/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,21,22,23).
What are the key properties of 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine?
6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine has a molecular weight of 367.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)-7H-purine is sourced from PubChem (CID 139011328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).