6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione

C10H16N2O2 — CID 12705974

IUPAC6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(C)(C)C)cc(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)7-6-8(13)12(5)9(14)11(7)4/h6H,1-5H3
InChIKeyFVZQAWIIEDWLIC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds

About 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione

6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 12705974) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID12705974
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(C)(C)C)cc(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)7-6-8(13)12(5)9(14)11(7)4/h6H,1-5H3
InChIKeyFVZQAWIIEDWLIC-UHFFFAOYSA-N
XLogP0.38
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione (CID 12705974) is 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(C)(C)C)cc(=O)n(C)c1=O.
What is the InChIKey of 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FVZQAWIIEDWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)7-6-8(13)12(5)9(14)11(7)4/h6H,1-5H3.
What are the key properties of 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione?
6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12705974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).