2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid

C10H11F3N2O4 — CID 136890470

IUPAC2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid
SMILESCc1nc(COCC(F)(F)F)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C10H11F3N2O4/c1-5-6(2-8(16)17)9(18)15-7(14-5)3-19-4-10(11,12)13/h2-4H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyYPTUKPUOYPDHCS-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.78
Rot. Bonds5

About 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid

2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid (PubChem CID 136890470) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid
PubChem CID136890470
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid
SMILESCc1nc(COCC(F)(F)F)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C10H11F3N2O4/c1-5-6(2-8(16)17)9(18)15-7(14-5)3-19-4-10(11,12)13/h2-4H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyYPTUKPUOYPDHCS-UHFFFAOYSA-N
XLogP0.78
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid 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

Ethyl (2-Methyl-6-trifluoromethyl-3H-pyrimidin-4-on-5-yl)acetate
CID 136102355
2-[2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136475738
ethyl (2,6-dimethyl-3H-pyrimidin-4-on-5yl)acetate
CID 135459178
2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136055366
2-[4-methyl-6-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-5-yl]acetic acid
CID 136283600
5-(2-hydroxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842443
2-[4-methyl-6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-5-yl]acetic acid
CID 136842488
2-[4-amino-6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-5-yl]acetic acid
CID 136842492
5-(2-hydroxyethyl)-4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890425
2-[4-methyl-6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136890469
ethyl 2-[4-amino-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetate
CID 136890472
2-[4-amino-6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136890473

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid (CID 136890470) is 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid is Cc1nc(COCC(F)(F)F)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is YPTUKPUOYPDHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-5-6(2-8(16)17)9(18)15-7(14-5)3-19-4-10(11,12)13/h2-4H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid?
2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 280.20 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 136890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).