4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

C15H15FN4S — CID 103329097

IUPAC4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccc(C(C)Nc2nc(N)nc3sccc23)cc1F
InChIInChI=1S/C15H15FN4S/c1-8-3-4-10(7-12(8)16)9(2)18-13-11-5-6-21-14(11)20-15(17)19-13/h3-7,9H,1-2H3,(H3,17,18,19,20)
InChIKeyQNEBPDVAHSLKFU-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.89
Rot. Bonds3

About 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329097) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329097
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccc(C(C)Nc2nc(N)nc3sccc23)cc1F
InChIInChI=1S/C15H15FN4S/c1-8-3-4-10(7-12(8)16)9(2)18-13-11-5-6-21-14(11)20-15(17)19-13/h3-7,9H,1-2H3,(H3,17,18,19,20)
InChIKeyQNEBPDVAHSLKFU-UHFFFAOYSA-N
XLogP3.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3,5-diamine
CID 113424172
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329097) is 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1ccc(C(C)Nc2nc(N)nc3sccc23)cc1F.
What is the InChIKey of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QNEBPDVAHSLKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-8-3-4-10(7-12(8)16)9(2)18-13-11-5-6-21-14(11)20-15(17)19-13/h3-7,9H,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).