4-(4-cyclobutylpyrimidin-2-yl)butan-2-one

C12H16N2O — CID 116901689

IUPAC4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
SMILESCC(=O)CCc1nccc(C2CCC2)n1
InChIInChI=1S/C12H16N2O/c1-9(15)5-6-12-13-8-7-11(14-12)10-3-2-4-10/h7-8,10H,2-6H2,1H3
InChIKeyKKQVVJBNKPBIJK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.27
Rot. Bonds4

About 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one

4-(4-cyclobutylpyrimidin-2-yl)butan-2-one (PubChem CID 116901689) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
PubChem CID116901689
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
SMILESCC(=O)CCc1nccc(C2CCC2)n1
InChIInChI=1S/C12H16N2O/c1-9(15)5-6-12-13-8-7-11(14-12)10-3-2-4-10/h7-8,10H,2-6H2,1H3
InChIKeyKKQVVJBNKPBIJK-UHFFFAOYSA-N
XLogP2.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine
CID 116898181
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
CID 116902314
2-[4-(oxan-4-yl)pyrimidin-2-yl]ethanol
CID 116899632
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
4-cyclobutyl-2-methylsulfonylpyrimidine
CID 82394382
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
CID 116895464
4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
CID 116880941

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one?
The IUPAC name of 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one (CID 116901689) is 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one.
What is the SMILES notation for 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one?
The canonical SMILES for 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one is CC(=O)CCc1nccc(C2CCC2)n1.
What is the InChIKey of 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one?
The InChIKey is KKQVVJBNKPBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)5-6-12-13-8-7-11(14-12)10-3-2-4-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one?
4-(4-cyclobutylpyrimidin-2-yl)butan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylpyrimidin-2-yl)butan-2-one is sourced from PubChem (CID 116901689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).