1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one

C11H15FN2O — CID 167657259

IUPAC1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1nc(C(C)(C)C)ncc1F
InChIInChI=1S/C11H15FN2O/c1-7(15)5-9-8(12)6-13-10(14-9)11(2,3)4/h6H,5H2,1-4H3
InChIKeySAZGVGSBGGVTDJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one

1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one (PubChem CID 167657259) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
PubChem CID167657259
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1nc(C(C)(C)C)ncc1F
InChIInChI=1S/C11H15FN2O/c1-7(15)5-9-8(12)6-13-10(14-9)11(2,3)4/h6H,5H2,1-4H3
InChIKeySAZGVGSBGGVTDJ-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid
CID 83884952
2-tert-butyl-5-fluoro-4-(2-methyl-2-pyrimidin-2-ylpropyl)pyrimidine
CID 155140139
1-(2-tert-butyl-4-methylpyrimidin-5-yl)ethanone
CID 62771539
1-(5-tert-butylpyrimidin-2-yl)propan-2-one
CID 165372273
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
(2S)-2-(2-tert-butyl-4-fluoropyrimidin-5-yl)-3-methylbutanoic acid
CID 70419799
2-tert-butyl-5-fluoropyrimidine
CID 22958265
2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylic acid
CID 69037879
1-(2-tert-butyl-5-phenylpyrimidin-4-yl)ethanone
CID 58810664
(2-tert-butyl-4-methoxypyrimidin-5-yl)methanol
CID 86715273
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one
CID 84772261
2-tert-butyl-5-fluoro-4-(1H-1,2,4-triazol-5-ylmethoxy)pyrimidine
CID 167558393

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one (CID 167657259) is 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one is CC(=O)Cc1nc(C(C)(C)C)ncc1F.
What is the InChIKey of 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one?
The InChIKey is SAZGVGSBGGVTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7(15)5-9-8(12)6-13-10(14-9)11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one?
1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 167657259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).