4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one

C10H12F3N3O — CID 82384104

IUPAC4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one
SMILESCc1nc(C(F)(F)F)ncc1C(=O)CCCN
InChIInChI=1S/C10H12F3N3O/c1-6-7(8(17)3-2-4-14)5-15-9(16-6)10(11,12)13/h5H,2-4,14H2,1H3
InChIKeyGUPUEQAZFBENGG-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one

4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one (PubChem CID 82384104) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one
PubChem CID82384104
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one
SMILESCc1nc(C(F)(F)F)ncc1C(=O)CCCN
InChIInChI=1S/C10H12F3N3O/c1-6-7(8(17)3-2-4-14)5-15-9(16-6)10(11,12)13/h5H,2-4,14H2,1H3
InChIKeyGUPUEQAZFBENGG-UHFFFAOYSA-N
XLogP1.73
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one (CID 82384104) is 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one is Cc1nc(C(F)(F)F)ncc1C(=O)CCCN.
What is the InChIKey of 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one?
The InChIKey is GUPUEQAZFBENGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-7(8(17)3-2-4-14)5-15-9(16-6)10(11,12)13/h5H,2-4,14H2,1H3.
What are the key properties of 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one?
4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one has a molecular weight of 247.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one is sourced from PubChem (CID 82384104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).