4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C16H15F3N6S — CID 154883702

IUPAC4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nc(N2CCN(c3ncnc4ccsc34)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H15F3N6S/c1-10-22-12(16(17,18)19)8-13(23-10)24-3-5-25(6-4-24)15-14-11(2-7-26-14)20-9-21-15/h2,7-9H,3-6H2,1H3
InChIKeyGJEOQTXTXLPACT-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.14
Rot. Bonds2

About 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 154883702) has the molecular formula C16H15F3N6S and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID154883702
Molecular FormulaC16H15F3N6S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nc(N2CCN(c3ncnc4ccsc34)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H15F3N6S/c1-10-22-12(16(17,18)19)8-13(23-10)24-3-5-25(6-4-24)15-14-11(2-7-26-14)20-9-21-15/h2,7-9H,3-6H2,1H3
InChIKeyGJEOQTXTXLPACT-UHFFFAOYSA-N
XLogP3.14
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171130407
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166605539
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 163357358
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
CID 60702030
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 146124392
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[3,2-d]pyrimidine
CID 163356596

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 154883702) is 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine is Cc1nc(N2CCN(c3ncnc4ccsc34)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is GJEOQTXTXLPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6S/c1-10-22-12(16(17,18)19)8-13(23-10)24-3-5-25(6-4-24)15-14-11(2-7-26-14)20-9-21-15/h2,7-9H,3-6H2,1H3.
What are the key properties of 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 380.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 154883702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).