3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

C8H10F3N3O — CID 105476967

IUPAC3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1c(N)c(C)n(C(F)(F)F)c(=O)c1N
InChIInChI=1S/C8H10F3N3O/c1-3-5(12)4(2)14(8(9,10)11)7(15)6(3)13/h12-13H2,1-2H3
InChIKeyWDNAJNRCAUXRBB-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.11
Rot. Bonds

About 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one

3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 105476967) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID105476967
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1c(N)c(C)n(C(F)(F)F)c(=O)c1N
InChIInChI=1S/C8H10F3N3O/c1-3-5(12)4(2)14(8(9,10)11)7(15)6(3)13/h12-13H2,1-2H3
InChIKeyWDNAJNRCAUXRBB-UHFFFAOYSA-N
XLogP1.11
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105458340
3-Amino-5-chloro-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105502370
3-Amino-5-bromo-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105524207
4-(Difluoromethyl)-6-hydroxy-3-methylpicolinamide
CID 118823928
3-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 130084192
3-amino-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130104585
3-amino-5-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130104591
3-amino-6-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130104601
3-amino-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104602
3-Amino-1,4,5,6-tetramethylpyridin-2-one
CID 23382240
3-amino-4,5,6-trimethyl-1H-pyridin-2-one
CID 67347229
3,5-diamino-4,6-dimethyl-1H-pyridin-2-one
CID 105429921

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one (CID 105476967) is 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is Cc1c(N)c(C)n(C(F)(F)F)c(=O)c1N.
What is the InChIKey of 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is WDNAJNRCAUXRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-3-5(12)4(2)14(8(9,10)11)7(15)6(3)13/h12-13H2,1-2H3.
What are the key properties of 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one?
3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105476967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).