2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide

C9H10F3N3O3 — CID 71019140

IUPAC2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide
SMILESNC(=O)Cc1cc(=O)n(CCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)1-2-15-7(17)4-5(3-6(13)16)14-8(15)18/h4H,1-3H2,(H2,13,16)(H,14,18)
InChIKeyBKGIAOQFFPXHGJ-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.48
Rot. Bonds4

About 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide

2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide (PubChem CID 71019140) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide
PubChem CID71019140
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide
SMILESNC(=O)Cc1cc(=O)n(CCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)1-2-15-7(17)4-5(3-6(13)16)14-8(15)18/h4H,1-3H2,(H2,13,16)(H,14,18)
InChIKeyBKGIAOQFFPXHGJ-UHFFFAOYSA-N
XLogP-0.48
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide (CID 71019140) is 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide is NC(=O)Cc1cc(=O)n(CCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide?
The InChIKey is BKGIAOQFFPXHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)1-2-15-7(17)4-5(3-6(13)16)14-8(15)18/h4H,1-3H2,(H2,13,16)(H,14,18).
What are the key properties of 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide?
2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide has a molecular weight of 265.19 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide is sourced from PubChem (CID 71019140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).