4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C15H15FN4S — CID 103327502

IUPAC4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(c1ccccc1F)N(C)c1nc(N)nc2sccc12
InChIInChI=1S/C15H15FN4S/c1-9(10-5-3-4-6-12(10)16)20(2)13-11-7-8-21-14(11)19-15(17)18-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyWYWVAZQAWQXRFB-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.61
Rot. Bonds3

About 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327502) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327502
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(c1ccccc1F)N(C)c1nc(N)nc2sccc12
InChIInChI=1S/C15H15FN4S/c1-9(10-5-3-4-6-12(10)16)20(2)13-11-7-8-21-14(11)19-15(17)18-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyWYWVAZQAWQXRFB-UHFFFAOYSA-N
XLogP3.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine 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-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
5-(2-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpyridin-2-amine
CID 80636823
5-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107083113
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 55209659
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83157199
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 103325838
5-N-[1-(2-fluorophenyl)ethyl]-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62978278
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323225
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327502) is 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CC(c1ccccc1F)N(C)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WYWVAZQAWQXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-9(10-5-3-4-6-12(10)16)20(2)13-11-7-8-21-14(11)19-15(17)18-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).