2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H6Cl2F3N3O2 — CID 114583182

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H6Cl2F3N3O2/c9-5-6(10)15-3-16(7(5)18)1-4(17)14-2-8(11,12)13/h3H,1-2H2,(H,14,17)
InChIKeyYYNNJSPZLDMGQQ-UHFFFAOYSA-N
MW304.06 g/mol
LogP1.23
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114583182) has the molecular formula C8H6Cl2F3N3O2 and a molecular weight of 304.06 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114583182
Molecular FormulaC8H6Cl2F3N3O2
Molecular Weight304.06 g/mol
Exact Mass302.98
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H6Cl2F3N3O2/c9-5-6(10)15-3-16(7(5)18)1-4(17)14-2-8(11,12)13/h3H,1-2H2,(H,14,17)
InChIKeyYYNNJSPZLDMGQQ-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.06
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604462
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136728226
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136728233
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114582910
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 114582911
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582928
N-butan-2-yl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582954
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114582969
N-butan-2-yl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114582973

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114583182) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnc(Cl)c(Cl)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YYNNJSPZLDMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N3O2/c9-5-6(10)15-3-16(7(5)18)1-4(17)14-2-8(11,12)13/h3H,1-2H2,(H,14,17).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 304.06 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114583182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).