5-(4-methylphenyl)-5H-pyrimidin-2-one

C11H10N2O — CID 75973825

IUPAC5-(4-methylphenyl)-5H-pyrimidin-2-one
SMILESCc1ccc(C2C=NC(=O)N=C2)cc1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7,10H,1H3
InChIKeyKGBAFBVGUOSODU-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.35
Rot. Bonds1

About 5-(4-methylphenyl)-5H-pyrimidin-2-one

5-(4-methylphenyl)-5H-pyrimidin-2-one (PubChem CID 75973825) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-5H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-5H-pyrimidin-2-one
PubChem CID75973825
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-(4-methylphenyl)-5H-pyrimidin-2-one
SMILESCc1ccc(C2C=NC(=O)N=C2)cc1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7,10H,1H3
InChIKeyKGBAFBVGUOSODU-UHFFFAOYSA-N
XLogP2.35
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
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benzene;bis(1,4-xylene)
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1-methyl-4-(tritiomethyl)benzene
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1-(1-deuteriocyclohexyl)-4-methylbenzene
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2-(4-methylphenyl)thiirane
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2-(4-methylphenyl)-2H-1,3-oxazol-5-one
CID 70370917
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CID 178046273
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
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CID 18423372

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-5H-pyrimidin-2-one?
The IUPAC name of 5-(4-methylphenyl)-5H-pyrimidin-2-one (CID 75973825) is 5-(4-methylphenyl)-5H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-methylphenyl)-5H-pyrimidin-2-one?
The canonical SMILES for 5-(4-methylphenyl)-5H-pyrimidin-2-one is Cc1ccc(C2C=NC(=O)N=C2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-5H-pyrimidin-2-one?
The InChIKey is KGBAFBVGUOSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10-6-12-11(14)13-7-10/h2-7,10H,1H3.
What are the key properties of 5-(4-methylphenyl)-5H-pyrimidin-2-one?
5-(4-methylphenyl)-5H-pyrimidin-2-one has a molecular weight of 186.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-5H-pyrimidin-2-one is sourced from PubChem (CID 75973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).