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

C8H7ClF3N3O2 — CID 114582323

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NCC(F)(F)F
InChIInChI=1S/C8H7ClF3N3O2/c9-5-1-7(17)15(4-14-5)2-6(16)13-3-8(10,11)12/h1,4H,2-3H2,(H,13,16)
InChIKeyJNZICQODRJEPCX-UHFFFAOYSA-N
MW269.61 g/mol
LogP0.58
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114582323) has the molecular formula C8H7ClF3N3O2 and a molecular weight of 269.61 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114582323
Molecular FormulaC8H7ClF3N3O2
Molecular Weight269.61 g/mol
Exact Mass269.02
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NCC(F)(F)F
InChIInChI=1S/C8H7ClF3N3O2/c9-5-1-7(17)15(4-14-5)2-6(16)13-3-8(10,11)12/h1,4H,2-3H2,(H,13,16)
InChIKeyJNZICQODRJEPCX-UHFFFAOYSA-N
XLogP0.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66309274
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604462
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583182
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115696888
2-(4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 139023608
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114581674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114582323) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnc(Cl)cc1=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JNZICQODRJEPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O2/c9-5-1-7(17)15(4-14-5)2-6(16)13-3-8(10,11)12/h1,4H,2-3H2,(H,13,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 269.61 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114582323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).