6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one

C6H6F3N3O — CID 118908184

IUPAC6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCNc1[nH]c(=O)ncc1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-10-4-3(6(7,8)9)2-11-5(13)12-4/h2H,1H3,(H2,10,11,12,13)
InChIKeyOJLKKNHVOYLCNI-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.83
Rot. Bonds1

About 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one

6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 118908184) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID118908184
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCNc1[nH]c(=O)ncc1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-10-4-3(6(7,8)9)2-11-5(13)12-4/h2H,1H3,(H2,10,11,12,13)
InChIKeyOJLKKNHVOYLCNI-UHFFFAOYSA-N
XLogP0.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 118908184) is 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one is CNc1[nH]c(=O)ncc1C(F)(F)F.
What is the InChIKey of 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is OJLKKNHVOYLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-10-4-3(6(7,8)9)2-11-5(13)12-4/h2H,1H3,(H2,10,11,12,13).
What are the key properties of 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 193.13 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 118908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).