1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one

C12H16N2O — CID 116895464

IUPAC1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C12H16N2O/c1-8-6-11(10-4-3-5-10)14-12(13-8)7-9(2)15/h6,10H,3-5,7H2,1-2H3
InChIKeyXTBHNUGTKDEBKJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one

1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one (PubChem CID 116895464) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
PubChem CID116895464
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C12H16N2O/c1-8-6-11(10-4-3-5-10)14-12(13-8)7-9(2)15/h6,10H,3-5,7H2,1-2H3
InChIKeyXTBHNUGTKDEBKJ-UHFFFAOYSA-N
XLogP2.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine
CID 116893201
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
CID 116894013
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)-2-methylpropan-2-amine
CID 116892859
methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate
CID 56877631
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylbutanoic acid
CID 116894237
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
CID 126566751

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one?
The IUPAC name of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one (CID 116895464) is 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one?
The canonical SMILES for 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one is CC(=O)Cc1nc(C)cc(C2CCC2)n1.
What is the InChIKey of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one?
The InChIKey is XTBHNUGTKDEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-6-11(10-4-3-5-10)14-12(13-8)7-9(2)15/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one?
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one is sourced from PubChem (CID 116895464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).