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

C9H10F3N3O4 — CID 103726405

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)5(16)3-13-7(18)4-15-2-1-6(17)14-8(15)19/h1-2,5,16H,3-4H2,(H,13,18)(H,14,17,19)
InChIKeyRKNBFNSEQHLYNA-UHFFFAOYSA-N
MW281.19 g/mol
LogP-1.42
Rot. Bonds4

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

2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726405) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726405
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)5(16)3-13-7(18)4-15-2-1-6(17)14-8(15)19/h1-2,5,16H,3-4H2,(H,13,18)(H,14,17,19)
InChIKeyRKNBFNSEQHLYNA-UHFFFAOYSA-N
XLogP-1.42
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-hydroxyethyl)acetamide
CID 2064469
Acetamide, 2-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-N-(2-hydroxyethyl)-
CID 3150928
1-(3-Fluoro-2-hydroxypropyl)pyrimidine-2,4-dione
CID 10330097
2,2,2-trifluoro-N-[6-[3-(2-hydroxybutyl)-2,6-dioxopyrimidin-1-yl]hexyl]acetamide
CID 58979958
1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrimidine-2,4-dione
CID 171574887
1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrimidine-2,4-dione
CID 171574896
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione
CID 174233674
5-[(2-Fluoroethyl)(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 269002
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264831
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723344
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione
CID 103731271
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-methylpyrimidine-2,4-dione
CID 103731301

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726405) is 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is RKNBFNSEQHLYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O4/c10-9(11,12)5(16)3-13-7(18)4-15-2-1-6(17)14-8(15)19/h1-2,5,16H,3-4H2,(H,13,18)(H,14,17,19).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 281.19 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).