2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride

C10H14ClF3N4 — CID 167442340

IUPAC2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
SMILESC[C@H]1CNCCN1c1ncc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C10H13F3N4.ClH/c1-7-4-14-2-3-17(7)9-15-5-8(6-16-9)10(11,12)13;/h5-7,14H,2-4H2,1H3;1H/t7-;/m0./s1
InChIKeyVATGTOKCJUELTA-FJXQXJEOSA-N
MW282.70 g/mol
LogP1.72
Rot. Bonds1

About 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride

2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 167442340) has the molecular formula C10H14ClF3N4 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID167442340
Molecular FormulaC10H14ClF3N4
Molecular Weight282.70 g/mol
Exact Mass282.09
IUPAC Name2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride
SMILESC[C@H]1CNCCN1c1ncc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C10H13F3N4.ClH/c1-7-4-14-2-3-17(7)9-15-5-8(6-16-9)10(11,12)13;/h5-7,14H,2-4H2,1H3;1H/t7-;/m0./s1
InChIKeyVATGTOKCJUELTA-FJXQXJEOSA-N
XLogP1.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 175390349
2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 69041767
5-(2,2-dimethylpropyl)-2-(2-methylpiperazin-1-yl)pyrimidine
CID 166010053
5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 116976419
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
ethane;2-(2-methylpiperazin-1-yl)-5-propan-2-ylsulfanylpyrimidine
CID 167450441
4-chloro-5-methyl-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 86329330
(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 96947194
(3aR,6aR)-4-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
CID 171099993
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
CID 151453057

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride (CID 167442340) is 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride is C[C@H]1CNCCN1c1ncc(C(F)(F)F)cn1.Cl.
What is the InChIKey of 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is VATGTOKCJUELTA-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H13F3N4.ClH/c1-7-4-14-2-3-17(7)9-15-5-8(6-16-9)10(11,12)13;/h5-7,14H,2-4H2,1H3;1H/t7-;/m0./s1.
What are the key properties of 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride?
2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 282.70 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 167442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).