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

C13H8F3N3S — CID 170560489

IUPACN-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)8-2-1-3-9(6-8)19-12-11-10(4-5-20-11)17-7-18-12/h1-7H,(H,17,18,19)
InChIKeyBWYAMNUTGDFWHS-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.45
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 170560489) has the molecular formula C13H8F3N3S and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID170560489
Molecular FormulaC13H8F3N3S
Molecular Weight295.29 g/mol
Exact Mass295.04
IUPAC NameN-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)8-2-1-3-9(6-8)19-12-11-10(4-5-20-11)17-7-18-12/h1-7H,(H,17,18,19)
InChIKeyBWYAMNUTGDFWHS-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(thieno[3,2-d]pyrimidin-4-ylamino)benzaldehyde
CID 167084503
1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
CID 17422025
N-[3-(trifluoromethyl)phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110435108
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
CID 138038554
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709314
N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
CID 155595848
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 57422578
7-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 5328200
N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 22112828
5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2241086

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine (CID 170560489) is N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine is FC(F)(F)c1cccc(Nc2ncnc3ccsc23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BWYAMNUTGDFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3S/c14-13(15,16)8-2-1-3-9(6-8)19-12-11-10(4-5-20-11)17-7-18-12/h1-7H,(H,17,18,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 295.29 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170560489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).