3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione

C10H15FN2O2 — CID 177129737

IUPAC3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(F)c(=O)n(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C10H15FN2O2/c1-6-7(11)8(14)13(10(2,3)4)9(15)12(6)5/h1-5H3
InChIKeyDVISTRKHWYIINO-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.75
Rot. Bonds

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

3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 177129737) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione
PubChem CID177129737
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(F)c(=O)n(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C10H15FN2O2/c1-6-7(11)8(14)13(10(2,3)4)9(15)12(6)5/h1-5H3
InChIKeyDVISTRKHWYIINO-UHFFFAOYSA-N
XLogP0.75
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione (CID 177129737) is 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione is Cc1c(F)c(=O)n(C(C)(C)C)c(=O)n1C.
What is the InChIKey of 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is DVISTRKHWYIINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-6-7(11)8(14)13(10(2,3)4)9(15)12(6)5/h1-5H3.
What are the key properties of 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione?
3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 214.24 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 177129737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).