N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C17H10F4N4OS — CID 18460455

IUPACN-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3ccno3)nc3sc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C17H10F4N4OS/c18-10-3-1-9(2-4-10)8-22-14-11-7-13(17(19,20)21)27-16(11)25-15(24-14)12-5-6-23-26-12/h1-7H,8H2,(H,22,24,25)
InChIKeyNRSBZNHUBLYMTM-UHFFFAOYSA-N
MW394.35 g/mol
LogP5.12
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460455) has the molecular formula C17H10F4N4OS and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460455
Molecular FormulaC17H10F4N4OS
Molecular Weight394.35 g/mol
Exact Mass394.05
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(-c3ccno3)nc3sc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C17H10F4N4OS/c18-10-3-1-9(2-4-10)8-22-14-11-7-13(17(19,20)21)27-16(11)25-15(24-14)12-5-6-23-26-12/h1-7H,8H2,(H,22,24,25)
InChIKeyNRSBZNHUBLYMTM-UHFFFAOYSA-N
XLogP5.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460455) is N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is Fc1ccc(CNc2nc(-c3ccno3)nc3sc(C(F)(F)F)cc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NRSBZNHUBLYMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4OS/c18-10-3-1-9(2-4-10)8-22-14-11-7-13(17(19,20)21)27-16(11)25-15(24-14)12-5-6-23-26-12/h1-7H,8H2,(H,22,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 394.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).