2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid

C7H8N2O5 — CID 151161961

IUPAC2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1OCC(=O)O
InChIInChI=1S/C7H8N2O5/c1-3-5(14-2-4(10)11)6(12)9-7(13)8-3/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyNALHCVXXODELJO-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.16
Rot. Bonds3

About 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid

2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid (PubChem CID 151161961) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
PubChem CID151161961
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1OCC(=O)O
InChIInChI=1S/C7H8N2O5/c1-3-5(14-2-4(10)11)6(12)9-7(13)8-3/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyNALHCVXXODELJO-UHFFFAOYSA-N
XLogP-1.16
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid (CID 151161961) is 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid is Cc1[nH]c(=O)[nH]c(=O)c1OCC(=O)O.
What is the InChIKey of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The InChIKey is NALHCVXXODELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-3-5(14-2-4(10)11)6(12)9-7(13)8-3/h2H2,1H3,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid has a molecular weight of 200.15 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid is sourced from PubChem (CID 151161961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).