5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C21H24F3N5S — CID 16582764

IUPAC5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C(C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(N)c2c1C
InChIInChI=1S/C21H24F3N5S/c1-12-14(3)30-20-17(12)18(25)26-19(27-20)13(2)28-7-9-29(10-8-28)16-6-4-5-15(11-16)21(22,23)24/h4-6,11,13H,7-10H2,1-3H3,(H2,25,26,27)
InChIKeyNJEYJPQFVMIQHV-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.79
Rot. Bonds3

About 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 16582764) has the molecular formula C21H24F3N5S and a molecular weight of 435.52 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID16582764
Molecular FormulaC21H24F3N5S
Molecular Weight435.52 g/mol
Exact Mass435.17
IUPAC Name5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C(C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(N)c2c1C
InChIInChI=1S/C21H24F3N5S/c1-12-14(3)30-20-17(12)18(25)26-19(27-20)13(2)28-7-9-29(10-8-28)16-6-4-5-15(11-16)21(22,23)24/h4-6,11,13H,7-10H2,1-3H3,(H2,25,26,27)
InChIKeyNJEYJPQFVMIQHV-UHFFFAOYSA-N
XLogP4.79
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 18124256
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1431296
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 46549668
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 40973732
1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-ol
CID 46832362
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 16582764) is 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(C(C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NJEYJPQFVMIQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5S/c1-12-14(3)30-20-17(12)18(25)26-19(27-20)13(2)28-7-9-29(10-8-28)16-6-4-5-15(11-16)21(22,23)24/h4-6,11,13H,7-10H2,1-3H3,(H2,25,26,27).
What are the key properties of 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 435.52 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16582764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).