4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

C8H10F3N3O — CID 83849650

IUPAC4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)(N)c1cc(C(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C8H10F3N3O/c1-7(2,12)4-3-5(8(9,10)11)14-6(15)13-4/h3H,12H2,1-2H3,(H,13,14,15)
InChIKeyKXURWZDLYGZXEG-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.98
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83849650) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83849650
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCC(C)(N)c1cc(C(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C8H10F3N3O/c1-7(2,12)4-3-5(8(9,10)11)14-6(15)13-4/h3H,12H2,1-2H3,(H,13,14,15)
InChIKeyKXURWZDLYGZXEG-UHFFFAOYSA-N
XLogP0.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 125492218
4-(1-methylpyrrol-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91927049
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106514596
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521131
6-(trifluoromethyl)-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 2844452
6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
CID 5337137
4-[2-(3,4-dimethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 2833133
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
4-amino-2-(2-aminopropan-2-yl)-1H-pyrimidin-6-one;hydrochloride
CID 135962964
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 96864974
4-(5-propoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106520742

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83849650) is 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is CC(C)(N)c1cc(C(F)(F)F)[nH]c(=O)n1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is KXURWZDLYGZXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-7(2,12)4-3-5(8(9,10)11)14-6(15)13-4/h3H,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83849650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).