4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one

C14H16N2O2 — CID 136691860

IUPAC4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2cc(=O)[nH]c(CC)n2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-13-15-12(9-14(17)16-13)10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyAJRBBZSEYHFKMB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.40
Rot. Bonds4

About 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one

4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136691860) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136691860
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2cc(=O)[nH]c(CC)n2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-13-15-12(9-14(17)16-13)10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyAJRBBZSEYHFKMB-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

2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
4-(4-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136770272
4-(4-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136955380
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
2-(chloromethyl)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 137119592
4-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135682232
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136731230
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
2-(chloromethyl)-4-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 137119595
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one (CID 136691860) is 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one is CCOc1ccc(-c2cc(=O)[nH]c(CC)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is AJRBBZSEYHFKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-13-15-12(9-14(17)16-13)10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
4-(4-ethoxyphenyl)-2-ethyl-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 4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).