2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol

C12H17F3N4O — CID 71085839

IUPAC2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
SMILESCc1cnc(N2CCN(CCO)CC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-9-8-16-11(17-10(9)12(13,14)15)19-4-2-18(3-5-19)6-7-20/h8,20H,2-7H2,1H3
InChIKeyPNNQLVSYRHOZGZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.92
Rot. Bonds3

About 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol

2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol (PubChem CID 71085839) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
PubChem CID71085839
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
SMILESCc1cnc(N2CCN(CCO)CC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-9-8-16-11(17-10(9)12(13,14)15)19-4-2-18(3-5-19)6-7-20/h8,20H,2-7H2,1H3
InChIKeyPNNQLVSYRHOZGZ-UHFFFAOYSA-N
XLogP0.92
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol (CID 71085839) is 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol is Cc1cnc(N2CCN(CCO)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is PNNQLVSYRHOZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-9-8-16-11(17-10(9)12(13,14)15)19-4-2-18(3-5-19)6-7-20/h8,20H,2-7H2,1H3.
What are the key properties of 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 290.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71085839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).