2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid

C7H8N2O3 — CID 82468023

IUPAC2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)nc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4-2-5(3-6(10)11)9-7(12)8-4/h2H,3H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyBJEUAXFGMUJFED-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.29
Rot. Bonds2

About 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid

2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid (PubChem CID 82468023) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
PubChem CID82468023
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)nc(=O)[nH]1
InChIInChI=1S/C7H8N2O3/c1-4-2-5(3-6(10)11)9-7(12)8-4/h2H,3H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyBJEUAXFGMUJFED-UHFFFAOYSA-N
XLogP-0.29
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 28799510
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-ethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 33695345
2-Hydroxy-6-methylpyrimidine-4-carboxylic acid hydrochloride
CID 46736380
3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 82468378
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 82469194
2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
CID 82637017
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858503
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858504
2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858506

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid (CID 82468023) is 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid is Cc1cc(CC(=O)O)nc(=O)[nH]1.
What is the InChIKey of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid?
The InChIKey is BJEUAXFGMUJFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-2-5(3-6(10)11)9-7(12)8-4/h2H,3H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid?
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 82468023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).