1,5-ditert-butylpyrimidine-2,4-dione

C12H20N2O2 — CID 58769654

IUPAC1,5-ditert-butylpyrimidine-2,4-dione
SMILESCC(C)(C)c1cn(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-11(2,3)8-7-14(12(4,5)6)10(16)13-9(8)15/h7H,1-6H3,(H,13,15,16)
InChIKeyVXDRJGKJJXLHTA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.59
Rot. Bonds

About 1,5-ditert-butylpyrimidine-2,4-dione

1,5-ditert-butylpyrimidine-2,4-dione (PubChem CID 58769654) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,5-ditert-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-ditert-butylpyrimidine-2,4-dione
PubChem CID58769654
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1,5-ditert-butylpyrimidine-2,4-dione
SMILESCC(C)(C)c1cn(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-11(2,3)8-7-14(12(4,5)6)10(16)13-9(8)15/h7H,1-6H3,(H,13,15,16)
InChIKeyVXDRJGKJJXLHTA-UHFFFAOYSA-N
XLogP1.59
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butylpyrimidine-2,4-dione?
The IUPAC name of 1,5-ditert-butylpyrimidine-2,4-dione (CID 58769654) is 1,5-ditert-butylpyrimidine-2,4-dione.
What is the SMILES notation for 1,5-ditert-butylpyrimidine-2,4-dione?
The canonical SMILES for 1,5-ditert-butylpyrimidine-2,4-dione is CC(C)(C)c1cn(C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-ditert-butylpyrimidine-2,4-dione?
The InChIKey is VXDRJGKJJXLHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,3)8-7-14(12(4,5)6)10(16)13-9(8)15/h7H,1-6H3,(H,13,15,16).
What are the key properties of 1,5-ditert-butylpyrimidine-2,4-dione?
1,5-ditert-butylpyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butylpyrimidine-2,4-dione is sourced from PubChem (CID 58769654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).