2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide

C10H13F3N4O2 — CID 107485826

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
SMILESO=C(CN(CCO)CC(F)(F)F)Nc1ncccn1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-17(4-5-18)6-8(19)16-9-14-2-1-3-15-9/h1-3,18H,4-7H2,(H,14,15,16,19)
InChIKeyUEFNHECPPNBNEU-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.27
Rot. Bonds6

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide (PubChem CID 107485826) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
PubChem CID107485826
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
SMILESO=C(CN(CCO)CC(F)(F)F)Nc1ncccn1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-17(4-5-18)6-8(19)16-9-14-2-1-3-15-9/h1-3,18H,4-7H2,(H,14,15,16,19)
InChIKeyUEFNHECPPNBNEU-UHFFFAOYSA-N
XLogP0.27
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
2-(4-Pyrimidin-2-ylpiperazinyl)acetamide
CID 1439350
4-Pyrimidin-2-ylpiperazin-2-ol
CID 90736802
N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]propanamide
CID 1937332
2-[2-methoxyethyl(pyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 71981404
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 71996239
2-[Butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
1-(2,2-Difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea
CID 100650944
N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]acetamide
CID 5103079
1-[2-[2-Hydroxyethyl(methyl)amino]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458210
1-(Pyrimidin-2-yl)piperazin-2-one
CID 45099721
Pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68869705

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide (CID 107485826) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide is O=C(CN(CCO)CC(F)(F)F)Nc1ncccn1.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide?
The InChIKey is UEFNHECPPNBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)7-17(4-5-18)6-8(19)16-9-14-2-1-3-15-9/h1-3,18H,4-7H2,(H,14,15,16,19).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide has a molecular weight of 278.23 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 107485826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).