methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate

C13H13F3N4O3 — CID 51103030

IUPACmethyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C13H13F3N4O3/c1-23-10(21)3-6-20(8-13(14,15)16)11(22)9-7-19-5-2-4-17-12(19)18-9/h2,4-5,7H,3,6,8H2,1H3
InChIKeyCABUULFVJVAWFP-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.30
Rot. Bonds5

About methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 51103030) has the molecular formula C13H13F3N4O3 and a molecular weight of 330.27 g/mol. Its IUPAC name is methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID51103030
Molecular FormulaC13H13F3N4O3
Molecular Weight330.27 g/mol
Exact Mass330.09
IUPAC Namemethyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)c1cn2cccnc2n1
InChIInChI=1S/C13H13F3N4O3/c1-23-10(21)3-6-20(8-13(14,15)16)11(22)9-7-19-5-2-4-17-12(19)18-9/h2,4-5,7H,3,6,8H2,1H3
InChIKeyCABUULFVJVAWFP-UHFFFAOYSA-N
XLogP1.30
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate (CID 51103030) is methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)c1cn2cccnc2n1.
What is the InChIKey of methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is CABUULFVJVAWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3/c1-23-10(21)3-6-20(8-13(14,15)16)11(22)9-7-19-5-2-4-17-12(19)18-9/h2,4-5,7H,3,6,8H2,1H3.
What are the key properties of methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 330.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[imidazo[1,2-a]pyrimidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 51103030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).