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

C14H12FN3OS — CID 103331903

IUPACN-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c1-2-16-14-17-12(11-6-7-20-13(11)18-14)19-10-5-3-4-9(15)8-10/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyCBHIYCOIVVBTSC-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.05
Rot. Bonds4

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

N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331903) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103331903
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC NameN-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cccc(F)c2)c2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c1-2-16-14-17-12(11-6-7-20-13(11)18-14)19-10-5-3-4-9(15)8-10/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyCBHIYCOIVVBTSC-UHFFFAOYSA-N
XLogP4.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333526
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333102
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103331903) is N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cccc(F)c2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is CBHIYCOIVVBTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-2-16-14-17-12(11-6-7-20-13(11)18-14)19-10-5-3-4-9(15)8-10/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).