4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine

C11H15F3N4 — CID 126848956

IUPAC4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine
SMILESC[C@@H]1CNCCN1c1cc(CC(F)(F)F)ncn1
InChIInChI=1S/C11H15F3N4/c1-8-6-15-2-3-18(8)10-4-9(16-7-17-10)5-11(12,13)14/h4,7-8,15H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyWVVJXBLBCDWNJM-MRVPVSSYSA-N
MW260.26 g/mol
LogP1.38
Rot. Bonds2

About 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine

4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 126848956) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID126848956
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine
SMILESC[C@@H]1CNCCN1c1cc(CC(F)(F)F)ncn1
InChIInChI=1S/C11H15F3N4/c1-8-6-15-2-3-18(8)10-4-9(16-7-17-10)5-11(12,13)14/h4,7-8,15H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyWVVJXBLBCDWNJM-MRVPVSSYSA-N
XLogP1.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine (CID 126848956) is 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine is C[C@@H]1CNCCN1c1cc(CC(F)(F)F)ncn1.
What is the InChIKey of 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is WVVJXBLBCDWNJM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-8-6-15-2-3-18(8)10-4-9(16-7-17-10)5-11(12,13)14/h4,7-8,15H,2-3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine?
4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 260.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperazin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 126848956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).