6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C14H19F3N4O3 — CID 167851651

IUPAC6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2c(=O)cc(N)n(CC(F)(F)F)c2=O)CC1
InChIInChI=1S/C14H19F3N4O3/c1-9-2-4-19(5-3-9)12(23)7-20-11(22)6-10(18)21(13(20)24)8-14(15,16)17/h6,9H,2-5,7-8,18H2,1H3
InChIKeyBMSFXIXHFAEZRI-UHFFFAOYSA-N
MW348.33 g/mol
LogP0.41
Rot. Bonds3

About 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 167851651) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID167851651
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Name6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2c(=O)cc(N)n(CC(F)(F)F)c2=O)CC1
InChIInChI=1S/C14H19F3N4O3/c1-9-2-4-19(5-3-9)12(23)7-20-11(22)6-10(18)21(13(20)24)8-14(15,16)17/h6,9H,2-5,7-8,18H2,1H3
InChIKeyBMSFXIXHFAEZRI-UHFFFAOYSA-N
XLogP0.41
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 167851651) is 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CC1CCN(C(=O)Cn2c(=O)cc(N)n(CC(F)(F)F)c2=O)CC1.
What is the InChIKey of 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is BMSFXIXHFAEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-9-2-4-19(5-3-9)12(23)7-20-11(22)6-10(18)21(13(20)24)8-14(15,16)17/h6,9H,2-5,7-8,18H2,1H3.
What are the key properties of 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 348.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 167851651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).