2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol

C18H27F3N4O — CID 98769624

IUPAC2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol
SMILESCc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C18H27F3N4O/c1-12-13(2)22-17(18(19,20)21)23-16(12)24-8-9-25(14-5-3-4-6-14)15(11-24)7-10-26/h14-15,26H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyDZKGAMNOPDMDFC-HNNXBMFYSA-N
MW372.44 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol

2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol (PubChem CID 98769624) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol
PubChem CID98769624
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol
SMILESCc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@@H](CCO)C2)c1C
InChIInChI=1S/C18H27F3N4O/c1-12-13(2)22-17(18(19,20)21)23-16(12)24-8-9-25(14-5-3-4-6-14)15(11-24)7-10-26/h14-15,26H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyDZKGAMNOPDMDFC-HNNXBMFYSA-N
XLogP2.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol (CID 98769624) is 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol is Cc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@@H](CCO)C2)c1C.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol?
The InChIKey is DZKGAMNOPDMDFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-12-13(2)22-17(18(19,20)21)23-16(12)24-8-9-25(14-5-3-4-6-14)15(11-24)7-10-26/h14-15,26H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol has a molecular weight of 372.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98769624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).