1,2,5,6-tetramethylpyrimidin-4-one

C8H12N2O — CID 58821037

IUPAC1,2,5,6-tetramethylpyrimidin-4-one
SMILESCc1c(C)n(C)c(C)nc1=O
InChIInChI=1S/C8H12N2O/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3
InChIKeyRBKWLYRAHSMQIW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.71
Rot. Bonds

About 1,2,5,6-tetramethylpyrimidin-4-one

1,2,5,6-tetramethylpyrimidin-4-one (PubChem CID 58821037) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,2,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name1,2,5,6-tetramethylpyrimidin-4-one
PubChem CID58821037
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,2,5,6-tetramethylpyrimidin-4-one
SMILESCc1c(C)n(C)c(C)nc1=O
InChIInChI=1S/C8H12N2O/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3
InChIKeyRBKWLYRAHSMQIW-UHFFFAOYSA-N
XLogP0.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of 1,2,5,6-tetramethylpyrimidin-4-one (CID 58821037) is 1,2,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for 1,2,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for 1,2,5,6-tetramethylpyrimidin-4-one is Cc1c(C)n(C)c(C)nc1=O.
What is the InChIKey of 1,2,5,6-tetramethylpyrimidin-4-one?
The InChIKey is RBKWLYRAHSMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3.
What are the key properties of 1,2,5,6-tetramethylpyrimidin-4-one?
1,2,5,6-tetramethylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 58821037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).