2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide

C16H19N3O3 — CID 135403314

IUPAC2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCCOc1ccc(Cc2nc(C)c(CC(N)=O)c(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-3-22-12-6-4-11(5-7-12)8-15-18-10(2)13(9-14(17)20)16(21)19-15/h4-7H,3,8-9H2,1-2H3,(H2,17,20)(H,18,19,21)
InChIKeyYZVSEQYBDCOHFM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.10
Rot. Bonds6

About 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide

2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide (PubChem CID 135403314) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
PubChem CID135403314
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCCOc1ccc(Cc2nc(C)c(CC(N)=O)c(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-3-22-12-6-4-11(5-7-12)8-15-18-10(2)13(9-14(17)20)16(21)19-15/h4-7H,3,8-9H2,1-2H3,(H2,17,20)(H,18,19,21)
InChIKeyYZVSEQYBDCOHFM-UHFFFAOYSA-N
XLogP1.10
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide (CID 135403314) is 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide is CCOc1ccc(Cc2nc(C)c(CC(N)=O)c(=O)[nH]2)cc1.
What is the InChIKey of 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The InChIKey is YZVSEQYBDCOHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-12-6-4-11(5-7-12)8-15-18-10(2)13(9-14(17)20)16(21)19-15/h4-7H,3,8-9H2,1-2H3,(H2,17,20)(H,18,19,21).
What are the key properties of 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 135403314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).