4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine

C15H21F3N4S — CID 171335254

IUPAC4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
SMILESCc1nc(N2CCC(N3CCSCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N4S/c1-11-19-13(15(16,17)18)10-14(20-11)22-4-2-12(3-5-22)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3
InChIKeyHBZYCXHUROJKOC-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.82
Rot. Bonds2

About 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine

4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine (PubChem CID 171335254) has the molecular formula C15H21F3N4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
PubChem CID171335254
Molecular FormulaC15H21F3N4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
SMILESCc1nc(N2CCC(N3CCSCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N4S/c1-11-19-13(15(16,17)18)10-14(20-11)22-4-2-12(3-5-22)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3
InChIKeyHBZYCXHUROJKOC-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine (CID 171335254) is 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine is Cc1nc(N2CCC(N3CCSCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
The InChIKey is HBZYCXHUROJKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4S/c1-11-19-13(15(16,17)18)10-14(20-11)22-4-2-12(3-5-22)21-6-8-23-9-7-21/h10,12H,2-9H2,1H3.
What are the key properties of 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine?
4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine has a molecular weight of 346.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 171335254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).