N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide

C13H16F3N3O6 — CID 126544648

IUPACN-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCC[C@H]1OC(n2cc(CNC(=O)C(F)(F)F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H16F3N3O6/c1-2-6-7(20)8(21)10(25-6)19-4-5(9(22)18-12(19)24)3-17-11(23)13(14,15)16/h4,6-8,10,20-21H,2-3H2,1H3,(H,17,23)(H,18,22,24)/t6-,7-,8-,10?/m1/s1
InChIKeyPQHYGXTXBUXQFX-JSDYZDKHSA-N
MW367.28 g/mol
LogP-1.26
Rot. Bonds4

About N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide

N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 126544648) has the molecular formula C13H16F3N3O6 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID126544648
Molecular FormulaC13H16F3N3O6
Molecular Weight367.28 g/mol
Exact Mass367.10
IUPAC NameN-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCC[C@H]1OC(n2cc(CNC(=O)C(F)(F)F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H16F3N3O6/c1-2-6-7(20)8(21)10(25-6)19-4-5(9(22)18-12(19)24)3-17-11(23)13(14,15)16/h4,6-8,10,20-21H,2-3H2,1H3,(H,17,23)(H,18,22,24)/t6-,7-,8-,10?/m1/s1
InChIKeyPQHYGXTXBUXQFX-JSDYZDKHSA-N
XLogP-1.26
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
CID 126639355
N-[[1-[(3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
CID 118682014
N-[3-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]-2,2,2-trifluoroacetamide
CID 123979274
2,2,2-trifluoro-N-[[1-[5-(hydroxymethyl)-4-(sulfanylmethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
CID 88873047
N-[[1-[(3aS,4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
CID 90230933
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-oxopropyl)pyrimidine-2,4-dione
CID 57450617
N-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]formamide
CID 175538459
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2,2,3,3,3-pentafluoropropyl)pyrimidine-2,4-dione
CID 23263688
2-[1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 57091267
N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 67932894
[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methylurea
CID 150002970
N-[[1-[5-(dichlorophosphanyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 144863600

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide (CID 126544648) is N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide is CC[C@H]1OC(n2cc(CNC(=O)C(F)(F)F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is PQHYGXTXBUXQFX-JSDYZDKHSA-N. The full InChI is InChI=1S/C13H16F3N3O6/c1-2-6-7(20)8(21)10(25-6)19-4-5(9(22)18-12(19)24)3-17-11(23)13(14,15)16/h4,6-8,10,20-21H,2-3H2,1H3,(H,17,23)(H,18,22,24)/t6-,7-,8-,10?/m1/s1.
What are the key properties of N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 367.28 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 126544648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).