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

C9H12N2O3 — CID 83858506

IUPAC2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-5-4-6(11-8(14)10-5)9(2,3)7(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKeyOPWSDVGHZNQTEZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.44
Rot. Bonds2

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

2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid (PubChem CID 83858506) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
PubChem CID83858506
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-5-4-6(11-8(14)10-5)9(2,3)7(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKeyOPWSDVGHZNQTEZ-UHFFFAOYSA-N
XLogP0.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
CID 82468023
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-(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-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852235
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid (CID 83858506) is 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid is Cc1cc(C(C)(C)C(=O)O)nc(=O)[nH]1.
What is the InChIKey of 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The InChIKey is OPWSDVGHZNQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-4-6(11-8(14)10-5)9(2,3)7(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14).
What are the key properties of 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 83858506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).