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

C15H11ClF3N3S — CID 28695467

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(Cl)cc3C(F)(F)F)c2c1C
InChIInChI=1S/C15H11ClF3N3S/c1-7-8(2)23-14-12(7)13(20-6-21-14)22-11-4-3-9(16)5-10(11)15(17,18)19/h3-6H,1-2H3,(H,20,21,22)
InChIKeyLFFXXBPAQSNMKL-UHFFFAOYSA-N
MW357.79 g/mol
LogP5.72
Rot. Bonds2

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695467) has the molecular formula C15H11ClF3N3S and a molecular weight of 357.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28695467
Molecular FormulaC15H11ClF3N3S
Molecular Weight357.79 g/mol
Exact Mass357.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(Cl)cc3C(F)(F)F)c2c1C
InChIInChI=1S/C15H11ClF3N3S/c1-7-8(2)23-14-12(7)13(20-6-21-14)22-11-4-3-9(16)5-10(11)15(17,18)19/h3-6H,1-2H3,(H,20,21,22)
InChIKeyLFFXXBPAQSNMKL-UHFFFAOYSA-N
XLogP5.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.79
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80768561
4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 79916848
5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010002
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009282
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 28695467) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccc(Cl)cc3C(F)(F)F)c2c1C.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LFFXXBPAQSNMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3S/c1-7-8(2)23-14-12(7)13(20-6-21-14)22-11-4-3-9(16)5-10(11)15(17,18)19/h3-6H,1-2H3,(H,20,21,22).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 357.79 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).