1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride

C13H18ClF3N4O3 — CID 128986361

IUPAC1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)ccn(CC(=O)N2CC(N)CCC2C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N4O3.ClH/c1-18-10(21)4-5-19(12(18)23)7-11(22)20-6-8(17)2-3-9(20)13(14,15)16;/h4-5,8-9H,2-3,6-7,17H2,1H3;1H
InChIKeyFMNLGJIVTSJRIJ-UHFFFAOYSA-N
MW370.76 g/mol
LogP-0.15
Rot. Bonds2

About 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride

1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 128986361) has the molecular formula C13H18ClF3N4O3 and a molecular weight of 370.76 g/mol. Its IUPAC name is 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID128986361
Molecular FormulaC13H18ClF3N4O3
Molecular Weight370.76 g/mol
Exact Mass370.10
IUPAC Name1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)ccn(CC(=O)N2CC(N)CCC2C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N4O3.ClH/c1-18-10(21)4-5-19(12(18)23)7-11(22)20-6-8(17)2-3-9(20)13(14,15)16;/h4-5,8-9H,2-3,6-7,17H2,1H3;1H
InChIKeyFMNLGJIVTSJRIJ-UHFFFAOYSA-N
XLogP-0.15
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride (CID 128986361) is 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)ccn(CC(=O)N2CC(N)CCC2C(F)(F)F)c1=O.
What is the InChIKey of 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is FMNLGJIVTSJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O3.ClH/c1-18-10(21)4-5-19(12(18)23)7-11(22)20-6-8(17)2-3-9(20)13(14,15)16;/h4-5,8-9H,2-3,6-7,17H2,1H3;1H.
What are the key properties of 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 370.76 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 128986361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).