4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

C8H10F3N3O — CID 135978395

IUPAC4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-12-4-5-2-7(15)14-6(13-5)3-8(9,10)11/h2,12H,3-4H2,1H3,(H,13,14,15)
InChIKeyWVDBJNNVNOCVEW-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.59
Rot. Bonds3

About 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 135978395) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID135978395
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-12-4-5-2-7(15)14-6(13-5)3-8(9,10)11/h2,12H,3-4H2,1H3,(H,13,14,15)
InChIKeyWVDBJNNVNOCVEW-UHFFFAOYSA-N
XLogP0.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 135978395) is 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(CC(F)(F)F)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is WVDBJNNVNOCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-12-4-5-2-7(15)14-6(13-5)3-8(9,10)11/h2,12H,3-4H2,1H3,(H,13,14,15).
What are the key properties of 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 221.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).