4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one

C14H20N2O2 — CID 113397431

IUPAC4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one
SMILESCOc1cc(CC(=O)CCC2CCCC2)ncn1
InChIInChI=1S/C14H20N2O2/c1-18-14-9-12(15-10-16-14)8-13(17)7-6-11-4-2-3-5-11/h9-11H,2-8H2,1H3
InChIKeyKZOSKXGGSBJIGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.57
Rot. Bonds6

About 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one

4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one (PubChem CID 113397431) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one
PubChem CID113397431
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one
SMILESCOc1cc(CC(=O)CCC2CCCC2)ncn1
InChIInChI=1S/C14H20N2O2/c1-18-14-9-12(15-10-16-14)8-13(17)7-6-11-4-2-3-5-11/h9-11H,2-8H2,1H3
InChIKeyKZOSKXGGSBJIGZ-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950129
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
CID 113397442
1-cycloheptyl-2-(6-methoxypyrimidin-4-yl)ethanol
CID 113397518
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
4-cyclohexyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107063124
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 12949055
4-(2,2-dimethylpropyl)-6-methoxypyrimidine
CID 167358390
1-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 66320832
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950983

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one?
The IUPAC name of 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one (CID 113397431) is 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one.
What is the SMILES notation for 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one?
The canonical SMILES for 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one is COc1cc(CC(=O)CCC2CCCC2)ncn1.
What is the InChIKey of 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one?
The InChIKey is KZOSKXGGSBJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14-9-12(15-10-16-14)8-13(17)7-6-11-4-2-3-5-11/h9-11H,2-8H2,1H3.
What are the key properties of 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one?
4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one is sourced from PubChem (CID 113397431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).