5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one

C14H16N2O2 — CID 136955551

IUPAC5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
SMILESCCCc1ccc(-c2nc[nH]c(=O)c2OC)cc1
InChIInChI=1S/C14H16N2O2/c1-3-4-10-5-7-11(8-6-10)12-13(18-2)14(17)16-9-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyXDXWRDOKYGLEBS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.40
Rot. Bonds4

About 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one

5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one (PubChem CID 136955551) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
PubChem CID136955551
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
SMILESCCCc1ccc(-c2nc[nH]c(=O)c2OC)cc1
InChIInChI=1S/C14H16N2O2/c1-3-4-10-5-7-11(8-6-10)12-13(18-2)14(17)16-9-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyXDXWRDOKYGLEBS-UHFFFAOYSA-N
XLogP2.40
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692477
5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136692798
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136692107
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
4-(5-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136769687
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
3-(4-propylphenyl)-1H-pyrazine-2-thione
CID 106517221

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one (CID 136955551) is 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one is CCCc1ccc(-c2nc[nH]c(=O)c2OC)cc1.
What is the InChIKey of 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one?
The InChIKey is XDXWRDOKYGLEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-4-10-5-7-11(8-6-10)12-13(18-2)14(17)16-9-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one?
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).