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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Related Compounds

4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 98042461
4-ethyl-6-(2-ethylpiperazin-1-yl)pyrimidine
CID 63600778
2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
CID 71639508
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
3-[(2S)-2-methylpiperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline
CID 176915206
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine
CID 173341974
2-(2-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 175390349
2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 167442340
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139

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).