4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one

C7H6F3N3O2 — CID 118607354

IUPAC4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one
SMILESNc1ccn(C(=O)CC(F)(F)F)c(=O)n1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-5(14)13-2-1-4(11)12-6(13)15/h1-2H,3H2,(H2,11,12,15)
InChIKeyMBVHSOMIAMUVBM-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.42
Rot. Bonds1

About 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one

4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one (PubChem CID 118607354) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one
PubChem CID118607354
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one
SMILESNc1ccn(C(=O)CC(F)(F)F)c(=O)n1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-5(14)13-2-1-4(11)12-6(13)15/h1-2H,3H2,(H2,11,12,15)
InChIKeyMBVHSOMIAMUVBM-UHFFFAOYSA-N
XLogP0.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134601591
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
4-amino-1-(5-methylcyclohepta-1,3,6-triene-1-carbonyl)pyrimidin-2-one
CID 139438538
4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one (CID 118607354) is 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one is Nc1ccn(C(=O)CC(F)(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one?
The InChIKey is MBVHSOMIAMUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)3-5(14)13-2-1-4(11)12-6(13)15/h1-2H,3H2,(H2,11,12,15).
What are the key properties of 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one?
4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one has a molecular weight of 221.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one is sourced from PubChem (CID 118607354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).