1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

C13H13F3N4O — CID 81310130

IUPAC1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1cc(C)nc(Cn2c(C(F)(F)F)cccc2=O)n1
InChIInChI=1S/C13H13F3N4O/c1-8-6-10(17-2)19-11(18-8)7-20-9(13(14,15)16)4-3-5-12(20)21/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKeyDEANUFKIXVJKJE-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.06
Rot. Bonds3

About 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one

1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310130) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310130
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1cc(C)nc(Cn2c(C(F)(F)F)cccc2=O)n1
InChIInChI=1S/C13H13F3N4O/c1-8-6-10(17-2)19-11(18-8)7-20-9(13(14,15)16)4-3-5-12(20)21/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKeyDEANUFKIXVJKJE-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310130) is 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is CNc1cc(C)nc(Cn2c(C(F)(F)F)cccc2=O)n1.
What is the InChIKey of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is DEANUFKIXVJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-6-10(17-2)19-11(18-8)7-20-9(13(14,15)16)4-3-5-12(20)21/h3-6H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 298.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).