1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one

C15H16N2O2 — CID 113397442

IUPAC1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
SMILESCOc1cc(CC(=O)CCc2ccccc2)ncn1
InChIInChI=1S/C15H16N2O2/c1-19-15-10-13(16-11-17-15)9-14(18)8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyZXNUNDPLOLTMSX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds6

About 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one

1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one (PubChem CID 113397442) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
PubChem CID113397442
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
SMILESCOc1cc(CC(=O)CCc2ccccc2)ncn1
InChIInChI=1S/C15H16N2O2/c1-19-15-10-13(16-11-17-15)9-14(18)8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyZXNUNDPLOLTMSX-UHFFFAOYSA-N
XLogP2.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
1-(6-methoxypyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 102949993
1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 114560010
ethyl 2-oxo-3-[6-(2-phenylethyl)pyrimidin-4-yl]propanoate
CID 90753917
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
[4-(6-methoxypyrimidin-4-yl)-2-methylbutan-2-yl]carbamic acid
CID 175043657
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323
2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102949979
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one (CID 113397442) is 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one is COc1cc(CC(=O)CCc2ccccc2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one?
The InChIKey is ZXNUNDPLOLTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15-10-13(16-11-17-15)9-14(18)8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one?
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 113397442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).