N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C18H11F3N4S — CID 151469506

IUPACN-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(Nc3ccccc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C18H11F3N4S/c19-18(20,21)14-10-12-15(23-11-6-2-1-3-7-11)24-16(25-17(12)26-14)13-8-4-5-9-22-13/h1-10H,(H,23,24,25)
InChIKeyPKDWVSLAPXYXLW-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.52
Rot. Bonds3

About N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 151469506) has the molecular formula C18H11F3N4S and a molecular weight of 372.38 g/mol. Its IUPAC name is N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID151469506
Molecular FormulaC18H11F3N4S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC NameN-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(Nc3ccccc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C18H11F3N4S/c19-18(20,21)14-10-12-15(23-11-6-2-1-3-7-11)24-16(25-17(12)26-14)13-8-4-5-9-22-13/h1-10H,(H,23,24,25)
InChIKeyPKDWVSLAPXYXLW-UHFFFAOYSA-N
XLogP5.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 151469506) is N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(Nc3ccccc3)nc(-c3ccccn3)nc2s1.
What is the InChIKey of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PKDWVSLAPXYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4S/c19-18(20,21)14-10-12-15(23-11-6-2-1-3-7-11)24-16(25-17(12)26-14)13-8-4-5-9-22-13/h1-10H,(H,23,24,25).
What are the key properties of N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 372.38 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 151469506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).