1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one

C16H24N4O3 — CID 159572703

IUPAC1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one
SMILESCc1c(C)n(C)c(=O)n(C)c1=O.Cc1nc(C)n(C)c(=O)c1C
InChIInChI=1S/C8H12N2O2.C8H12N2O/c1-5-6(2)9(3)8(12)10(4)7(5)11;1-5-6(2)9-7(3)10(4)8(5)11/h1-4H3;1-4H3
InChIKeyMIAFJVGLUBCLQJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.41
Rot. Bonds

About 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one

1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one (PubChem CID 159572703) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one
PubChem CID159572703
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one
SMILESCc1c(C)n(C)c(=O)n(C)c1=O.Cc1nc(C)n(C)c(=O)c1C
InChIInChI=1S/C8H12N2O2.C8H12N2O/c1-5-6(2)9(3)8(12)10(4)7(5)11;1-5-6(2)9-7(3)10(4)8(5)11/h1-4H3;1-4H3
InChIKeyMIAFJVGLUBCLQJ-UHFFFAOYSA-N
XLogP0.41
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one
CID 160652027
1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one
CID 155185320
2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
CID 68874576
1,2,3,5,6,8-hexamethyl-1,7-naphthyridin-4-one
CID 20583079
5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
CID 143386784
2,4,5,6-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287913
3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione
CID 21355386
3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one
CID 82168037
5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 4153777
1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium
CID 102482142
1,3,5-trimethyl-2,6-dioxopyrimidine-4-carbonitrile
CID 169129319

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one (CID 159572703) is 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one is Cc1c(C)n(C)c(=O)n(C)c1=O.Cc1nc(C)n(C)c(=O)c1C.
What is the InChIKey of 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one?
The InChIKey is MIAFJVGLUBCLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C8H12N2O/c1-5-6(2)9(3)8(12)10(4)7(5)11;1-5-6(2)9-7(3)10(4)8(5)11/h1-4H3;1-4H3.
What are the key properties of 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one?
1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one has a molecular weight of 320.39 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethylpyrimidine-2,4-dione;2,3,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 159572703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).