1,3,5,6-tetramethylpyrimidine-2,4-dione

C8H12N2O2 — CID 13076782

IUPAC1,3,5,6-tetramethylpyrimidine-2,4-dione
SMILESCc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-5-6(2)9(3)8(12)10(4)7(5)11/h1-4H3
InChIKeyUOIDCYCXQCVIPE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.30
Rot. Bonds

About 1,3,5,6-tetramethylpyrimidine-2,4-dione

1,3,5,6-tetramethylpyrimidine-2,4-dione (PubChem CID 13076782) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,3,5,6-tetramethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5,6-tetramethylpyrimidine-2,4-dione
PubChem CID13076782
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1,3,5,6-tetramethylpyrimidine-2,4-dione
SMILESCc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-5-6(2)9(3)8(12)10(4)7(5)11/h1-4H3
InChIKeyUOIDCYCXQCVIPE-UHFFFAOYSA-N
XLogP-0.30
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethylpyrimidine-2,4-dione?
The IUPAC name of 1,3,5,6-tetramethylpyrimidine-2,4-dione (CID 13076782) is 1,3,5,6-tetramethylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5,6-tetramethylpyrimidine-2,4-dione?
The canonical SMILES for 1,3,5,6-tetramethylpyrimidine-2,4-dione is Cc1c(C)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3,5,6-tetramethylpyrimidine-2,4-dione?
The InChIKey is UOIDCYCXQCVIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6(2)9(3)8(12)10(4)7(5)11/h1-4H3.
What are the key properties of 1,3,5,6-tetramethylpyrimidine-2,4-dione?
1,3,5,6-tetramethylpyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethylpyrimidine-2,4-dione is sourced from PubChem (CID 13076782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).