pyrimidine;2,2,2-trifluoroacetamide

C6H6F3N3O — CID 160525351

IUPACpyrimidine;2,2,2-trifluoroacetamide
SMILESNC(=O)C(F)(F)F.c1cncnc1
InChIInChI=1S/C4H4N2.C2H2F3NO/c1-2-5-4-6-3-1;3-2(4,5)1(6)7/h1-4H;(H2,6,7)
InChIKeyQUUUZBRPRRKEET-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.51
Rot. Bonds

About pyrimidine;2,2,2-trifluoroacetamide

pyrimidine;2,2,2-trifluoroacetamide (PubChem CID 160525351) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is pyrimidine;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Namepyrimidine;2,2,2-trifluoroacetamide
PubChem CID160525351
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Namepyrimidine;2,2,2-trifluoroacetamide
SMILESNC(=O)C(F)(F)F.c1cncnc1
InChIInChI=1S/C4H4N2.C2H2F3NO/c1-2-5-4-6-3-1;3-2(4,5)1(6)7/h1-4H;(H2,6,7)
InChIKeyQUUUZBRPRRKEET-UHFFFAOYSA-N
XLogP0.51
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 140826173
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CID 160776334
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CID 138558233
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CID 172805732
fluoroform;pyrimidine
CID 163693887
nitroxyl;pyrimidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of pyrimidine;2,2,2-trifluoroacetamide?
The IUPAC name of pyrimidine;2,2,2-trifluoroacetamide (CID 160525351) is pyrimidine;2,2,2-trifluoroacetamide.
What is the SMILES notation for pyrimidine;2,2,2-trifluoroacetamide?
The canonical SMILES for pyrimidine;2,2,2-trifluoroacetamide is NC(=O)C(F)(F)F.c1cncnc1.
What is the InChIKey of pyrimidine;2,2,2-trifluoroacetamide?
The InChIKey is QUUUZBRPRRKEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2H2F3NO/c1-2-5-4-6-3-1;3-2(4,5)1(6)7/h1-4H;(H2,6,7).
What are the key properties of pyrimidine;2,2,2-trifluoroacetamide?
pyrimidine;2,2,2-trifluoroacetamide has a molecular weight of 193.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;2,2,2-trifluoroacetamide is sourced from PubChem (CID 160525351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).