5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C11H15FN4O3 — CID 175951369

IUPAC5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESOCC1OC(N2Cc3[nH]cnc3N=C2CF)CC1O
InChIInChI=1S/C11H15FN4O3/c12-2-9-15-11-6(13-5-14-11)3-16(9)10-1-7(18)8(4-17)19-10/h5,7-8,10,17-18H,1-4H2,(H,13,14)
InChIKeyOGPZGPDGKBRXTB-UHFFFAOYSA-N
MW270.26 g/mol
LogP-0.31
Rot. Bonds3

About 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol

5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 175951369) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID175951369
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESOCC1OC(N2Cc3[nH]cnc3N=C2CF)CC1O
InChIInChI=1S/C11H15FN4O3/c12-2-9-15-11-6(13-5-14-11)3-16(9)10-1-7(18)8(4-17)19-10/h5,7-8,10,17-18H,1-4H2,(H,13,14)
InChIKeyOGPZGPDGKBRXTB-UHFFFAOYSA-N
XLogP-0.31
TPSA93.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-Thioinosine
CID 676166
1-Methyladenosine
CID 27476
Thioguanosine
CID 2724387
2'-Deoxy-6-thioguanosine
CID 3000603
2-Amino-6-mercaptopurine riboside
CID 3938248
6MP-Arabinoside
CID 2861016
alpha-TGdR
CID 3032861
Inosine, 2'-deoxy-6-thio-
CID 4262396
9-beta-D-arabinofuranosyl-1,9-dihydro-6H-purine-6-thione
CID 3034423
6-Thioguanosine hydrate
CID 6419960
N1-Methyladenosine
CID 260623
2'-Deoxy-6-thioinosine
CID 3037127

Frequently Asked Questions

What is the IUPAC name of 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 175951369) is 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol is OCC1OC(N2Cc3[nH]cnc3N=C2CF)CC1O.
What is the InChIKey of 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OGPZGPDGKBRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-2-9-15-11-6(13-5-14-11)3-16(9)10-1-7(18)8(4-17)19-10/h5,7-8,10,17-18H,1-4H2,(H,13,14).
What are the key properties of 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 270.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(fluoromethyl)-6,7-dihydropurin-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 175951369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).