N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C14H12FN3S — CID 43087172

IUPACN-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1CCNc1ncnc2sccc12
InChIInChI=1S/C14H12FN3S/c15-12-4-2-1-3-10(12)5-7-16-13-11-6-8-19-14(11)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18)
InChIKeyAKQWUBMJERKXDM-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.48
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 43087172) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID43087172
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC NameN-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1CCNc1ncnc2sccc12
InChIInChI=1S/C14H12FN3S/c15-12-4-2-1-3-10(12)5-7-16-13-11-6-8-19-14(11)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18)
InChIKeyAKQWUBMJERKXDM-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-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

N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133311493
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 67600724
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133294022
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 39746305
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 43087172) is N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccccc1CCNc1ncnc2sccc12.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AKQWUBMJERKXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-12-4-2-1-3-10(12)5-7-16-13-11-6-8-19-14(11)18-9-17-13/h1-4,6,8-9H,5,7H2,(H,16,17,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43087172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).