5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C17H16F3N5S — CID 59232490

IUPAC5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1csc2ncnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c12
InChIInChI=1S/C17H16F3N5S/c1-11-9-26-16-14(11)15(22-10-23-16)25-6-4-24(5-7-25)13-3-2-12(8-21-13)17(18,19)20/h2-3,8-10H,4-7H2,1H3
InChIKeyXVUWBKVPAQLSTQ-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.74
Rot. Bonds2

About 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 59232490) has the molecular formula C17H16F3N5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID59232490
Molecular FormulaC17H16F3N5S
Molecular Weight379.41 g/mol
Exact Mass379.11
IUPAC Name5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1csc2ncnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c12
InChIInChI=1S/C17H16F3N5S/c1-11-9-26-16-14(11)15(22-10-23-16)25-6-4-24(5-7-25)13-3-2-12(8-21-13)17(18,19)20/h2-3,8-10H,4-7H2,1H3
InChIKeyXVUWBKVPAQLSTQ-UHFFFAOYSA-N
XLogP3.74
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
CID 140546700
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
ethyl 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 24508103
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]methanamine
CID 162561444
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 166605221
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748
5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
CID 136547764
2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile
CID 59191484

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 59232490) is 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1csc2ncnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c12.
What is the InChIKey of 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is XVUWBKVPAQLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5S/c1-11-9-26-16-14(11)15(22-10-23-16)25-6-4-24(5-7-25)13-3-2-12(8-21-13)17(18,19)20/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 379.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 59232490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).