5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione

C15H16N2O4 — CID 107851475

IUPAC5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(CCn2c(=O)[nH]cc(C(C)=O)c2=O)c1
InChIInChI=1S/C15H16N2O4/c1-10(18)13-9-16-15(20)17(14(13)19)7-6-11-4-3-5-12(8-11)21-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)
InChIKeyKJFASZDLFGENIN-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.99
Rot. Bonds5

About 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 107851475) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID107851475
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(CCn2c(=O)[nH]cc(C(C)=O)c2=O)c1
InChIInChI=1S/C15H16N2O4/c1-10(18)13-9-16-15(20)17(14(13)19)7-6-11-4-3-5-12(8-11)21-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)
InChIKeyKJFASZDLFGENIN-UHFFFAOYSA-N
XLogP0.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-3-[(3-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80643210
3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027123
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
5-acetyl-3-(2-butoxyethyl)-1H-pyrimidine-2,4-dione
CID 80643776
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione (CID 107851475) is 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione is COc1cccc(CCn2c(=O)[nH]cc(C(C)=O)c2=O)c1.
What is the InChIKey of 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KJFASZDLFGENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(18)13-9-16-15(20)17(14(13)19)7-6-11-4-3-5-12(8-11)21-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,20).
What are the key properties of 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[2-(3-methoxyphenyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107851475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).