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

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

2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
5-bromo-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823717
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 134480963
4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91465620
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785045
6-(thiolan-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 107296838
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
5-fluoro-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 130485396
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
2-N-methyl-6-N-(thian-2-ylmethyl)-7H-purine-2,6-diamine
CID 114785710

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).