1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one

C26H40N6O2 — CID 160652027

IUPAC1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one
SMILESC=C1C(C)=C(C)N(C)C(=C)N1C.Cc1nc(C)c(=O)n(C)c1C.Cc1nc(C)n(C)c(=O)c1C
InChIInChI=1S/C10H16N2.2C8H12N2O/c1-7-8(2)11(5)10(4)12(6)9(7)3;1-5-7(3)10(4)8(11)6(2)9-5;1-5-6(2)9-7(3)10(4)8(5)11/h2,4H2,1,3,5-6H3;2*1-4H3
InChIKeyRKNXLTVPAXJZEJ-UHFFFAOYSA-N
MW468.65 g/mol
LogP3.55
Rot. Bonds

About 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one

1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one (PubChem CID 160652027) has the molecular formula C26H40N6O2 and a molecular weight of 468.65 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one
PubChem CID160652027
Molecular FormulaC26H40N6O2
Molecular Weight468.65 g/mol
Exact Mass468.32
IUPAC Name1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one
SMILESC=C1C(C)=C(C)N(C)C(=C)N1C.Cc1nc(C)c(=O)n(C)c1C.Cc1nc(C)n(C)c(=O)c1C
InChIInChI=1S/C10H16N2.2C8H12N2O/c1-7-8(2)11(5)10(4)12(6)9(7)3;1-5-7(3)10(4)8(11)6(2)9-5;1-5-6(2)9-7(3)10(4)8(5)11/h2,4H2,1,3,5-6H3;2*1-4H3
InChIKeyRKNXLTVPAXJZEJ-UHFFFAOYSA-N
XLogP3.55
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.65
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one (CID 160652027) is 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one is C=C1C(C)=C(C)N(C)C(=C)N1C.Cc1nc(C)c(=O)n(C)c1C.Cc1nc(C)n(C)c(=O)c1C.
What is the InChIKey of 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one?
The InChIKey is RKNXLTVPAXJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2C8H12N2O/c1-7-8(2)11(5)10(4)12(6)9(7)3;1-5-7(3)10(4)8(11)6(2)9-5;1-5-6(2)9-7(3)10(4)8(5)11/h2,4H2,1,3,5-6H3;2*1-4H3.
What are the key properties of 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one?
1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one has a molecular weight of 468.65 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-2,6-dimethylidenepyrimidine;1,3,5,6-tetramethylpyrazin-2-one;2,3,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 160652027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).