2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C10H12F3N3O4 — CID 103723344

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCC(O)C(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O4/c1-15-8(19)2-3-16(9(15)20)5-7(18)14-4-6(17)10(11,12)13/h2-3,6,17H,4-5H2,1H3,(H,14,18)
InChIKeyPPLRYLBTHPEUKF-UHFFFAOYSA-N
MW295.22 g/mol
LogP-1.41
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103723344) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103723344
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCC(O)C(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O4/c1-15-8(19)2-3-16(9(15)20)5-7(18)14-4-6(17)10(11,12)13/h2-3,6,17H,4-5H2,1H3,(H,14,18)
InChIKeyPPLRYLBTHPEUKF-UHFFFAOYSA-N
XLogP-1.41
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103723344) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is Cn1c(=O)ccn(CC(=O)NCC(O)C(F)(F)F)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is PPLRYLBTHPEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c1-15-8(19)2-3-16(9(15)20)5-7(18)14-4-6(17)10(11,12)13/h2-3,6,17H,4-5H2,1H3,(H,14,18).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 295.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103723344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).