N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H12FN3S — CID 769518

IUPACN-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cccc(F)c3)c2c1C
InChIInChI=1S/C14H12FN3S/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H,16,17,18)
InChIKeyICFQTVIFPKTBKP-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.19
Rot. Bonds2

About N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 769518) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID769518
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC NameN-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cccc(F)c3)c2c1C
InChIInChI=1S/C14H12FN3S/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H,16,17,18)
InChIKeyICFQTVIFPKTBKP-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 769518) is N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3cccc(F)c3)c2c1C.
What is the InChIKey of N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ICFQTVIFPKTBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-8-9(2)19-14-12(8)13(16-7-17-14)18-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 769518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).