4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H16N2O2 — CID 55217017

IUPAC4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(O)c(C(C)C)c(=O)[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-8(2)11-13(17)15-12(16-14(11)18)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H2,15,16,17,18)
InChIKeyQUNUQROYAIDZQJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds2

About 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 55217017) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID55217017
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(O)c(C(C)C)c(=O)[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-8(2)11-13(17)15-12(16-14(11)18)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H2,15,16,17,18)
InChIKeyQUNUQROYAIDZQJ-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 55217017) is 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one is Cc1cccc(-c2nc(O)c(C(C)C)c(=O)[nH]2)c1.
What is the InChIKey of 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QUNUQROYAIDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(2)11-13(17)15-12(16-14(11)18)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 55217017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).