1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one

C7H6F3N3O2 — CID 66972204

IUPAC1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one
SMILESCC(=O)n1cc(C(F)(F)F)c(N)nc1=O
InChIInChI=1S/C7H6F3N3O2/c1-3(14)13-2-4(7(8,9)10)5(11)12-6(13)15/h2H,1H3,(H2,11,12,15)
InChIKeyLAOUWHWAYRVAPL-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.50
Rot. Bonds

About 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one

1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one (PubChem CID 66972204) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one
PubChem CID66972204
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one
SMILESCC(=O)n1cc(C(F)(F)F)c(N)nc1=O
InChIInChI=1S/C7H6F3N3O2/c1-3(14)13-2-4(7(8,9)10)5(11)12-6(13)15/h2H,1H3,(H2,11,12,15)
InChIKeyLAOUWHWAYRVAPL-UHFFFAOYSA-N
XLogP0.50
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one (CID 66972204) is 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one is CC(=O)n1cc(C(F)(F)F)c(N)nc1=O.
What is the InChIKey of 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is LAOUWHWAYRVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c1-3(14)13-2-4(7(8,9)10)5(11)12-6(13)15/h2H,1H3,(H2,11,12,15).
What are the key properties of 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one?
1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 221.14 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-amino-5-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 66972204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).