2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one

C11H16N2O — CID 63549994

IUPAC2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one
SMILESCCC(=O)C(C)c1cc(C)nc(C)n1
InChIInChI=1S/C11H16N2O/c1-5-11(14)8(3)10-6-7(2)12-9(4)13-10/h6,8H,5H2,1-4H3
InChIKeyHIKXYMITUGFDEP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds3

About 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one

2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one (PubChem CID 63549994) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one
PubChem CID63549994
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one
SMILESCCC(=O)C(C)c1cc(C)nc(C)n1
InChIInChI=1S/C11H16N2O/c1-5-11(14)8(3)10-6-7(2)12-9(4)13-10/h6,8H,5H2,1-4H3
InChIKeyHIKXYMITUGFDEP-UHFFFAOYSA-N
XLogP2.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)butan-2-ol
CID 63205554
2-(3,6-dimethylpyrazin-2-yl)pentan-3-one
CID 63549987
1-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,3-diol
CID 58291738
(2R,5R)-5-cyclopropyl-2-(2,6-dimethylpyrimidin-4-yl)-3-oxohexanenitrile
CID 95236144
2-(6-methoxypyrimidin-4-yl)pentan-3-one
CID 66319706
2-(6-methoxy-2-pyridinyl)pentan-3-one
CID 63586128
3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
CID 55162966
2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
CID 126973200
2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one
CID 174613758
1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
CID 58291736
3-[(2,6-dimethylpyrimidin-4-yl)-ethylamino]butanoic acid
CID 62826912
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one (CID 63549994) is 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one is CCC(=O)C(C)c1cc(C)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one?
The InChIKey is HIKXYMITUGFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-5-11(14)8(3)10-6-7(2)12-9(4)13-10/h6,8H,5H2,1-4H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one?
2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one has a molecular weight of 192.26 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 2-(2,6-dimethylpyrimidin-4-yl)pentan-3-one is sourced from PubChem (CID 63549994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).