4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one

C14H16N2O3 — CID 46734906

IUPAC4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
SMILESCCCOc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)12-15-13(17)9(2)14(18)16-12/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyARLWUMQQWFJVEA-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.24
Rot. Bonds4

About 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 46734906) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
PubChem CID46734906
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
SMILESCCCOc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)12-15-13(17)9(2)14(18)16-12/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyARLWUMQQWFJVEA-UHFFFAOYSA-N
XLogP2.24
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one (CID 46734906) is 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one is CCCOc1ccc(-c2nc(O)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is ARLWUMQQWFJVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)12-15-13(17)9(2)14(18)16-12/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 260.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 46734906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).