1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one

C8H10F3N3O — CID 63206369

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(C(CN)C(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O/c1-5-3-13-7(15)14(4-5)6(2-12)8(9,10)11/h3-4,6H,2,12H2,1H3
InChIKeyBAPOGUGTVCZELL-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.61
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one (PubChem CID 63206369) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one
PubChem CID63206369
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(C(CN)C(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O/c1-5-3-13-7(15)14(4-5)6(2-12)8(9,10)11/h3-4,6H,2,12H2,1H3
InChIKeyBAPOGUGTVCZELL-UHFFFAOYSA-N
XLogP0.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one (CID 63206369) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(C(CN)C(F)(F)F)c1.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one?
The InChIKey is BAPOGUGTVCZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-3-13-7(15)14(4-5)6(2-12)8(9,10)11/h3-4,6H,2,12H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).