N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C13H10FN3S — CID 9441357

IUPACN-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C13H10FN3S/c1-8-2-3-10(14)11(6-8)17-12-9-4-5-18-13(9)16-7-15-12/h2-7H,1H3,(H,15,16,17)
InChIKeyYNJZTKPIJUHKFW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.88
Rot. Bonds2

About N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9441357) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID9441357
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC NameN-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(F)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C13H10FN3S/c1-8-2-3-10(14)11(6-8)17-12-9-4-5-18-13(9)16-7-15-12/h2-7H,1H3,(H,15,16,17)
InChIKeyYNJZTKPIJUHKFW-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 9441357) is N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(F)c(Nc2ncnc3sccc23)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YNJZTKPIJUHKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c1-8-2-3-10(14)11(6-8)17-12-9-4-5-18-13(9)16-7-15-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9441357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).