3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one

C10H14F3N3O — CID 103366591

IUPAC3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(CN)C(F)(F)F)c(C)n1
InChIInChI=1S/C10H14F3N3O/c1-6-3-9(17)16(7(2)15-6)5-8(4-14)10(11,12)13/h3,8H,4-5,14H2,1-2H3
InChIKeyHSFVQMGCZOHSML-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.00
Rot. Bonds3

About 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one

3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 103366591) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one
PubChem CID103366591
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(CN)C(F)(F)F)c(C)n1
InChIInChI=1S/C10H14F3N3O/c1-6-3-9(17)16(7(2)15-6)5-8(4-14)10(11,12)13/h3,8H,4-5,14H2,1-2H3
InChIKeyHSFVQMGCZOHSML-UHFFFAOYSA-N
XLogP1.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one (CID 103366591) is 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(CN)C(F)(F)F)c(C)n1.
What is the InChIKey of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is HSFVQMGCZOHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6-3-9(17)16(7(2)15-6)5-8(4-14)10(11,12)13/h3,8H,4-5,14H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 249.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 103366591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).