3,5-diamino-1,4,6-trimethylpyridin-2-one

C8H13N3O — CID 105433487

IUPAC3,5-diamino-1,4,6-trimethylpyridin-2-one
SMILESCc1c(N)c(C)n(C)c(=O)c1N
InChIInChI=1S/C8H13N3O/c1-4-6(9)5(2)11(3)8(12)7(4)10/h9-10H2,1-3H3
InChIKeyUXGFGNJBEVJQOL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.17
Rot. Bonds

About 3,5-diamino-1,4,6-trimethylpyridin-2-one

3,5-diamino-1,4,6-trimethylpyridin-2-one (PubChem CID 105433487) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3,5-diamino-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3,5-diamino-1,4,6-trimethylpyridin-2-one
PubChem CID105433487
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3,5-diamino-1,4,6-trimethylpyridin-2-one
SMILESCc1c(N)c(C)n(C)c(=O)c1N
InChIInChI=1S/C8H13N3O/c1-4-6(9)5(2)11(3)8(12)7(4)10/h9-10H2,1-3H3
InChIKeyUXGFGNJBEVJQOL-UHFFFAOYSA-N
XLogP0.17
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105476967
3-amino-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 15145500
3,4-diamino-5,6-dimethyl-1H-pyridin-2-one
CID 15195064
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20801700
3-Amino-1-ethyl-4,5,6-trimethylpyridin-2-one
CID 22093028
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
3-Amino-1,4,5,6-tetramethylpyridin-2-one
CID 23382240
3-Isocyanato-1,4,5,6-tetramethylpyridin-2-one
CID 23382241
methyl N-(1,4,5,6-tetramethyl-2-oxo-3-pyridinyl)carbamate
CID 23382244
1-Ethyl-3-isocyano-5,6-dimethylpyridin-2-one
CID 23587855
3-Amino-1,5,6-trimethylpyridin-2-one
CID 23587878
N-(1,5,6-trimethyl-2-oxo-3-pyridinyl)acetamide
CID 23587962

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3,5-diamino-1,4,6-trimethylpyridin-2-one (CID 105433487) is 3,5-diamino-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3,5-diamino-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3,5-diamino-1,4,6-trimethylpyridin-2-one is Cc1c(N)c(C)n(C)c(=O)c1N.
What is the InChIKey of 3,5-diamino-1,4,6-trimethylpyridin-2-one?
The InChIKey is UXGFGNJBEVJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-6(9)5(2)11(3)8(12)7(4)10/h9-10H2,1-3H3.
What are the key properties of 3,5-diamino-1,4,6-trimethylpyridin-2-one?
3,5-diamino-1,4,6-trimethylpyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 105433487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).