5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine

C17H21F3N6 — CID 163343882

IUPAC5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine
SMILESCCc1c(C)nc(C)nc1N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C17H21F3N6/c1-4-13-11(2)21-12(3)22-16(13)26-9-7-25(8-10-26)15-6-5-14(23-24-15)17(18,19)20/h5-6H,4,7-10H2,1-3H3
InChIKeyZRTYLRTXRKEAOQ-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.79
Rot. Bonds3

About 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine

5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine (PubChem CID 163343882) has the molecular formula C17H21F3N6 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine
PubChem CID163343882
Molecular FormulaC17H21F3N6
Molecular Weight366.39 g/mol
Exact Mass366.18
IUPAC Name5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine
SMILESCCc1c(C)nc(C)nc1N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C17H21F3N6/c1-4-13-11(2)21-12(3)22-16(13)26-9-7-25(8-10-26)15-6-5-14(23-24-15)17(18,19)20/h5-6H,4,7-10H2,1-3H3
InChIKeyZRTYLRTXRKEAOQ-UHFFFAOYSA-N
XLogP2.79
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027048
5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 108772905
5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 139027073
1-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-2,6-dione
CID 99837317
3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 133432353
5-bromo-4-methoxy-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine
CID 133418932
4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133433651
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol
CID 133420791
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
[3,5-bis(trifluoromethyl)phenyl]-[4-[5-ethyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802648
3-(2-methylphenyl)-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133418498

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine (CID 163343882) is 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine is CCc1c(C)nc(C)nc1N1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine?
The InChIKey is ZRTYLRTXRKEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6/c1-4-13-11(2)21-12(3)22-16(13)26-9-7-25(8-10-26)15-6-5-14(23-24-15)17(18,19)20/h5-6H,4,7-10H2,1-3H3.
What are the key properties of 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine?
5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine has a molecular weight of 366.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethyl-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163343882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).