6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione

C15H21F3N4O4 — CID 42927085

IUPAC6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCCC(C(F)(F)F)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21F3N4O4/c1-26-6-5-22-12(19)11(13(24)20-14(22)25)10(23)8-21-4-2-3-9(7-21)15(16,17)18/h9H,2-8,19H2,1H3,(H,20,24,25)
InChIKeyUXHWERFTQGAUJU-UHFFFAOYSA-N
MW378.35 g/mol
LogP0.22
Rot. Bonds6

About 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione (PubChem CID 42927085) has the molecular formula C15H21F3N4O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
PubChem CID42927085
Molecular FormulaC15H21F3N4O4
Molecular Weight378.35 g/mol
Exact Mass378.15
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CN2CCCC(C(F)(F)F)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21F3N4O4/c1-26-6-5-22-12(19)11(13(24)20-14(22)25)10(23)8-21-4-2-3-9(7-21)15(16,17)18/h9H,2-8,19H2,1H3,(H,20,24,25)
InChIKeyUXHWERFTQGAUJU-UHFFFAOYSA-N
XLogP0.22
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione (CID 42927085) is 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CN2CCCC(C(F)(F)F)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The InChIKey is UXHWERFTQGAUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O4/c1-26-6-5-22-12(19)11(13(24)20-14(22)25)10(23)8-21-4-2-3-9(7-21)15(16,17)18/h9H,2-8,19H2,1H3,(H,20,24,25).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione has a molecular weight of 378.35 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 42927085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).