(1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

C16H16F6N6O — CID 11015344

IUPAC(1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C16H16F6N6O/c1-9(29)13-23-3-2-12(26-13)27-4-6-28(7-5-27)14-24-10(15(17,18)19)8-11(25-14)16(20,21)22/h2-3,8-9,29H,4-7H2,1H3/t9-/m1/s1
InChIKeyRXLXTRACRNDDLO-SECBINFHSA-N
MW422.33 g/mol
LogP2.68
Rot. Bonds3

About (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11015344) has the molecular formula C16H16F6N6O and a molecular weight of 422.33 g/mol. Its IUPAC name is (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11015344
Molecular FormulaC16H16F6N6O
Molecular Weight422.33 g/mol
Exact Mass422.13
IUPAC Name(1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C16H16F6N6O/c1-9(29)13-23-3-2-12(26-13)27-4-6-28(7-5-27)14-24-10(15(17,18)19)8-11(25-14)16(20,21)22/h2-3,8-9,29H,4-7H2,1H3/t9-/m1/s1
InChIKeyRXLXTRACRNDDLO-SECBINFHSA-N
XLogP2.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11015344) is (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3nc(C(F)(F)F)cc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is RXLXTRACRNDDLO-SECBINFHSA-N. The full InChI is InChI=1S/C16H16F6N6O/c1-9(29)13-23-3-2-12(26-13)27-4-6-28(7-5-27)14-24-10(15(17,18)19)8-11(25-14)16(20,21)22/h2-3,8-9,29H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 422.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11015344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).