5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione

C14H24N2O2 — CID 20871959

IUPAC5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(C)(C)C)c(C(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N2O2/c1-13(2,3)9-10(14(4,5)6)15(7)12(18)16(8)11(9)17/h1-8H3
InChIKeySBKNOZYKWYRKIP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.68
Rot. Bonds

About 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione

5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 20871959) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID20871959
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(C)(C)C)c(C(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N2O2/c1-13(2,3)9-10(14(4,5)6)15(7)12(18)16(8)11(9)17/h1-8H3
InChIKeySBKNOZYKWYRKIP-UHFFFAOYSA-N
XLogP1.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione (CID 20871959) is 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(C)(C)C)c(C(C)(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SBKNOZYKWYRKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)9-10(14(4,5)6)15(7)12(18)16(8)11(9)17/h1-8H3.
What are the key properties of 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione?
5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 20871959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).