2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O4 — CID 107483405

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O4/c11-10(12,13)5-16(1-2-17)8(19)4-6-3-7(18)15-9(20)14-6/h3,17H,1-2,4-5H2,(H2,14,15,18,20)
InChIKeyMKMZCWSRKOHBPQ-UHFFFAOYSA-N
MW295.22 g/mol
LogP-1.01
Rot. Bonds5

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107483405) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107483405
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O4/c11-10(12,13)5-16(1-2-17)8(19)4-6-3-7(18)15-9(20)14-6/h3,17H,1-2,4-5H2,(H2,14,15,18,20)
InChIKeyMKMZCWSRKOHBPQ-UHFFFAOYSA-N
XLogP-1.01
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149952
5-[1-(2-hydroxyethyl)-2-methyl-6-(trifluoromethyl)pyridin-4(1H)-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2244016
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-(2-hydroxyethoxy)ethyl)acetamide
CID 2149969
2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
CID 71019131
2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
CID 71019132
2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide
CID 71019140
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648453
N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
CID 107482929

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107483405) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MKMZCWSRKOHBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c11-10(12,13)5-16(1-2-17)8(19)4-6-3-7(18)15-9(20)14-6/h3,17H,1-2,4-5H2,(H2,14,15,18,20).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.22 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107483405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).