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

C9H10F3N3O3 — CID 137015876

IUPAC2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)CC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3N3O3/c1-5-13-6(2-7(16)14-5)15(3-8(17)18)4-9(10,11)12/h2H,3-4H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyFDVDPQXIDMQVDY-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.53
Rot. Bonds4

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

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 137015876) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID137015876
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)CC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3N3O3/c1-5-13-6(2-7(16)14-5)15(3-8(17)18)4-9(10,11)12/h2H,3-4H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyFDVDPQXIDMQVDY-UHFFFAOYSA-N
XLogP0.53
TPSA86.29 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

2-[4-(1-Fluoroethylamino)-2-oxopyrimidin-1-yl]acetic acid
CID 129227487
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737807
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957546
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957580
4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958116
2-[(6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959229
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959230
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959231
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 137015876) is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nc(N(CC(=O)O)CC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FDVDPQXIDMQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-5-13-6(2-7(16)14-5)15(3-8(17)18)4-9(10,11)12/h2H,3-4H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 137015876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).