2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

C9H12N2O3 — CID 62095679

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1C(C)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-4(8(12)13)7-5(2)10-9(14)11-6(7)3/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKeyILGINAXOWNQYPN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds2

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 62095679) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID62095679
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1C(C)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-4(8(12)13)7-5(2)10-9(14)11-6(7)3/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKeyILGINAXOWNQYPN-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 62095679) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is Cc1nc(=O)[nH]c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is ILGINAXOWNQYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4(8(12)13)7-5(2)10-9(14)11-6(7)3/h4H,1-3H3,(H,12,13)(H,10,11,14).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 62095679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).