2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C9H12F3N3O — CID 136741413

IUPAC2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCN(C)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H12F3N3O/c1-3-4-15(2)8-13-6(9(10,11)12)5-7(16)14-8/h5H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyHFOMYPKZEJGLMX-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.63
Rot. Bonds3

About 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741413) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741413
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCCN(C)c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H12F3N3O/c1-3-4-15(2)8-13-6(9(10,11)12)5-7(16)14-8/h5H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyHFOMYPKZEJGLMX-UHFFFAOYSA-N
XLogP1.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741413) is 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCCN(C)c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is HFOMYPKZEJGLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-4-15(2)8-13-6(9(10,11)12)5-7(16)14-8/h5H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 235.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).