2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine

C10H12FN5S — CID 146282235

IUPAC2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine
SMILESFc1nc(NCC2CCSC2)c2[nH]cnc2n1
InChIInChI=1S/C10H12FN5S/c11-10-15-8(7-9(16-10)14-5-13-7)12-3-6-1-2-17-4-6/h5-6H,1-4H2,(H2,12,13,14,15,16)
InChIKeyGZHMBVMEQOGYFR-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.66
Rot. Bonds3

About 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine

2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine (PubChem CID 146282235) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine
PubChem CID146282235
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine
SMILESFc1nc(NCC2CCSC2)c2[nH]cnc2n1
InChIInChI=1S/C10H12FN5S/c11-10-15-8(7-9(16-10)14-5-13-7)12-3-6-1-2-17-4-6/h5-6H,1-4H2,(H2,12,13,14,15,16)
InChIKeyGZHMBVMEQOGYFR-UHFFFAOYSA-N
XLogP1.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine (CID 146282235) is 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine is Fc1nc(NCC2CCSC2)c2[nH]cnc2n1.
What is the InChIKey of 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine?
The InChIKey is GZHMBVMEQOGYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c11-10-15-8(7-9(16-10)14-5-13-7)12-3-6-1-2-17-4-6/h5-6H,1-4H2,(H2,12,13,14,15,16).
What are the key properties of 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine?
2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine has a molecular weight of 253.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiolan-3-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 146282235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).