2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid

C15H16N2O5 — CID 141105320

IUPAC2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CCOCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O5/c18-13(19)9-17-8-12(14(20)16-15(17)21)6-7-22-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,18,19)(H,16,20,21)
InChIKeyNOYLPWVRJFKBFK-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.38
Rot. Bonds7

About 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid

2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid (PubChem CID 141105320) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid
PubChem CID141105320
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CCOCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O5/c18-13(19)9-17-8-12(14(20)16-15(17)21)6-7-22-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,18,19)(H,16,20,21)
InChIKeyNOYLPWVRJFKBFK-UHFFFAOYSA-N
XLogP0.38
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid
CID 22465274
2-[[2-[2,4-dioxo-5-[3-(phenylmethoxycarbonylamino)prop-2-enyl]pyrimidin-1-yl]acetyl]amino]acetic acid
CID 139905968
1-benzyl-5-butylpyrimidine-2,4-dione
CID 71028668
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
3-(2-phenylethoxy)propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 166334199
5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330314
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
2-[3-methyl-5-(3-phenylmethoxypropyl)-1,2,4-triazol-1-yl]acetic acid
CID 72845534
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
1-(2-phenylmethoxyethyl)pyrrole-2-carboxylic acid
CID 137425559
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid (CID 141105320) is 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid is O=C(O)Cn1cc(CCOCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid?
The InChIKey is NOYLPWVRJFKBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-13(19)9-17-8-12(14(20)16-15(17)21)6-7-22-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,18,19)(H,16,20,21).
What are the key properties of 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid?
2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-5-(2-phenylmethoxyethyl)pyrimidin-1-yl]acetic acid is sourced from PubChem (CID 141105320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).