4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

C12H17F3N4 — CID 133431510

IUPAC4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(CC(F)(F)F)C(C)C2)ncn1
InChIInChI=1S/C12H17F3N4/c1-9-5-11(17-8-16-9)18-3-4-19(10(2)6-18)7-12(13,14)15/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyXYWKZCPZNZMAAI-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 133431510) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID133431510
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(CC(F)(F)F)C(C)C2)ncn1
InChIInChI=1S/C12H17F3N4/c1-9-5-11(17-8-16-9)18-3-4-19(10(2)6-18)7-12(13,14)15/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyXYWKZCPZNZMAAI-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 133431510) is 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(CC(F)(F)F)C(C)C2)ncn1.
What is the InChIKey of 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is XYWKZCPZNZMAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-9-5-11(17-8-16-9)18-3-4-19(10(2)6-18)7-12(13,14)15/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 274.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133431510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).