2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid

C10H11F3N2O3 — CID 113259081

IUPAC2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
SMILESCc1cc(C)n(CC(C(=O)O)C(F)(F)F)c(=O)n1
InChIInChI=1S/C10H11F3N2O3/c1-5-3-6(2)15(9(18)14-5)4-7(8(16)17)10(11,12)13/h3,7H,4H2,1-2H3,(H,16,17)
InChIKeyGUGKOMQXWQYUMJ-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.12
Rot. Bonds3

About 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid

2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 113259081) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID113259081
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
SMILESCc1cc(C)n(CC(C(=O)O)C(F)(F)F)c(=O)n1
InChIInChI=1S/C10H11F3N2O3/c1-5-3-6(2)15(9(18)14-5)4-7(8(16)17)10(11,12)13/h3,7H,4H2,1-2H3,(H,16,17)
InChIKeyGUGKOMQXWQYUMJ-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]prop-2-enoic acid
CID 64116681
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79630141
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-[3-(2-Methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852234
2-[6-Chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852762

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid (CID 113259081) is 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid is Cc1cc(C)n(CC(C(=O)O)C(F)(F)F)c(=O)n1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is GUGKOMQXWQYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-5-3-6(2)15(9(18)14-5)4-7(8(16)17)10(11,12)13/h3,7H,4H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid?
2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 264.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 113259081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).