4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

C16H19F3N6 — CID 154882543

IUPAC4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCc1cnc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)nc1
InChIInChI=1S/C16H19F3N6/c1-3-12-9-20-15(21-10-12)25-6-4-24(5-7-25)14-8-13(16(17,18)19)22-11(2)23-14/h8-10H,3-7H2,1-2H3
InChIKeyDFBZGPOFEQPKTB-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.48
Rot. Bonds3

About 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine

4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 154882543) has the molecular formula C16H19F3N6 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID154882543
Molecular FormulaC16H19F3N6
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC Name4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCc1cnc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)nc1
InChIInChI=1S/C16H19F3N6/c1-3-12-9-20-15(21-10-12)25-6-4-24(5-7-25)14-8-13(16(17,18)19)22-11(2)23-14/h8-10H,3-7H2,1-2H3
InChIKeyDFBZGPOFEQPKTB-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine (CID 154882543) is 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is CCc1cnc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)nc1.
What is the InChIKey of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is DFBZGPOFEQPKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6/c1-3-12-9-20-15(21-10-12)25-6-4-24(5-7-25)14-8-13(16(17,18)19)22-11(2)23-14/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine?
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 352.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154882543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).