2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide

C9H10F3N3O3 — CID 71019129

IUPAC2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
SMILESCc1c(CC(N)=O)[nH]c(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O3/c1-4-5(2-6(13)16)14-8(18)15(7(4)17)3-9(10,11)12/h2-3H2,1H3,(H2,13,16)(H,14,18)
InChIKeyKCRCHMGGROUZFY-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.56
Rot. Bonds3

About 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide

2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide (PubChem CID 71019129) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
PubChem CID71019129
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
SMILESCc1c(CC(N)=O)[nH]c(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O3/c1-4-5(2-6(13)16)14-8(18)15(7(4)17)3-9(10,11)12/h2-3H2,1H3,(H2,13,16)(H,14,18)
InChIKeyKCRCHMGGROUZFY-UHFFFAOYSA-N
XLogP-0.56
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
2-[4-methyl-2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]propanamide
CID 71019091
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-[3-(3-chloropropyl)-5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl]-3,3,3-trifluoropropanamide
CID 89193163
6-(Propan-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239168
6-Ethyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239172
6-Tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 122239173
3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 10241423
N-ethyl-2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 11694370
3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423346

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide (CID 71019129) is 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide is Cc1c(CC(N)=O)[nH]c(=O)n(CC(F)(F)F)c1=O.
What is the InChIKey of 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
The InChIKey is KCRCHMGGROUZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-4-5(2-6(13)16)14-8(18)15(7(4)17)3-9(10,11)12/h2-3H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide?
2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide has a molecular weight of 265.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide is sourced from PubChem (CID 71019129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).