6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one

C15H20F3N5O2 — CID 126889828

IUPAC6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one
SMILESO=C1COC(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CN1
InChIInChI=1S/C15H20F3N5O2/c16-15(17,18)12-5-13(21-9-20-12)22-10-1-3-23(4-2-10)7-11-6-19-14(24)8-25-11/h5,9-11H,1-4,6-8H2,(H,19,24)(H,20,21,22)
InChIKeyYJYDKFBPALMLQP-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.89
Rot. Bonds4

About 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one

6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one (PubChem CID 126889828) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one
PubChem CID126889828
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one
SMILESO=C1COC(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CN1
InChIInChI=1S/C15H20F3N5O2/c16-15(17,18)12-5-13(21-9-20-12)22-10-1-3-23(4-2-10)7-11-6-19-14(24)8-25-11/h5,9-11H,1-4,6-8H2,(H,19,24)(H,20,21,22)
InChIKeyYJYDKFBPALMLQP-UHFFFAOYSA-N
XLogP0.89
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one?
The IUPAC name of 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one (CID 126889828) is 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one.
What is the SMILES notation for 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one?
The canonical SMILES for 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one is O=C1COC(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)CN1.
What is the InChIKey of 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one?
The InChIKey is YJYDKFBPALMLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c16-15(17,18)12-5-13(21-9-20-12)22-10-1-3-23(4-2-10)7-11-6-19-14(24)8-25-11/h5,9-11H,1-4,6-8H2,(H,19,24)(H,20,21,22).
What are the key properties of 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one?
6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one has a molecular weight of 359.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one is sourced from PubChem (CID 126889828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).