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

C19H12F4N4S — CID 18460245

IUPACN-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3ccccn3)nc3sc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C19H12F4N4S/c20-12-6-4-11(5-7-12)10-25-16-13-9-15(19(21,22)23)28-18(13)27-17(26-16)14-3-1-2-8-24-14/h1-9H,10H2,(H,25,26,27)
InChIKeyVHLRQEZXPIDTKN-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.52
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460245) has the molecular formula C19H12F4N4S and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460245
Molecular FormulaC19H12F4N4S
Molecular Weight404.39 g/mol
Exact Mass404.07
IUPAC NameN-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3ccccn3)nc3sc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C19H12F4N4S/c20-12-6-4-11(5-7-12)10-25-16-13-9-15(19(21,22)23)28-18(13)27-17(26-16)14-3-1-2-8-24-14/h1-9H,10H2,(H,25,26,27)
InChIKeyVHLRQEZXPIDTKN-UHFFFAOYSA-N
XLogP5.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
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-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460245) is N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(CNc2nc(-c3ccccn3)nc3sc(C(F)(F)F)cc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VHLRQEZXPIDTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4S/c20-12-6-4-11(5-7-12)10-25-16-13-9-15(19(21,22)23)28-18(13)27-17(26-16)14-3-1-2-8-24-14/h1-9H,10H2,(H,25,26,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 404.39 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).