morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C14H18F3N5O2 — CID 171492951

IUPACmorpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CNCCO1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H18F3N5O2/c15-14(16,17)10-7-19-13(20-8-10)22-4-2-21(3-5-22)12(23)11-9-18-1-6-24-11/h7-8,11,18H,1-6,9H2
InChIKeyHRAHGTNLZHGYLY-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.13
Rot. Bonds2

About morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 171492951) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID171492951
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Namemorpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CNCCO1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H18F3N5O2/c15-14(16,17)10-7-19-13(20-8-10)22-4-2-21(3-5-22)12(23)11-9-18-1-6-24-11/h7-8,11,18H,1-6,9H2
InChIKeyHRAHGTNLZHGYLY-UHFFFAOYSA-N
XLogP0.13
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10550105, Example 615
CID 154826354
US11691969, Example 2
CID 168474704
US11691969, Example 7
CID 168474709
2-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 53556600
N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 110257985
[4-[(2-Methoxypyrimidin-5-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268377
N-(2-hydroxyethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 110269433
(2-Methylmorpholin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 118739931
4-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}piperazin-2-one
CID 50963232
1-(4-Methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
CID 56799664
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328398
(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
CID 99929770

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 171492951) is morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is O=C(C1CNCCO1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is HRAHGTNLZHGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c15-14(16,17)10-7-19-13(20-8-10)22-4-2-21(3-5-22)12(23)11-9-18-1-6-24-11/h7-8,11,18H,1-6,9H2.
What are the key properties of morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 345.33 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 171492951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).