2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid

C7H8N2O4 — CID 83851930

IUPAC2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-13-7-8-3-4(2-5(10)11)6(12)9-7/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyHJIZYBUOGFKINL-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.59
Rot. Bonds3

About 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid

2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 83851930) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID83851930
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-13-7-8-3-4(2-5(10)11)6(12)9-7/h3H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyHJIZYBUOGFKINL-UHFFFAOYSA-N
XLogP-0.59
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 84658879
2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 84677639
3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 84666763
2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid
CID 150287852
2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
CID 121279026
2-[2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 53214781
ethyl 2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]acetate
CID 125046751
2-[[2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 90702478
2-(6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668331
2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
CID 100591958
2-(2-ethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid;4-oxa-1-azabicyclo[3.1.0]hexane
CID 88622145
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid (CID 83851930) is 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid is COc1ncc(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is HJIZYBUOGFKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-7-8-3-4(2-5(10)11)6(12)9-7/h3H,2H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83851930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).