2-(6-methylpyrimidin-4-yl)propanoic acid

C8H10N2O2 — CID 82597052

IUPAC2-(6-methylpyrimidin-4-yl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)ncn1
InChIInChI=1S/C8H10N2O2/c1-5-3-7(10-4-9-5)6(2)8(11)12/h3-4,6H,1-2H3,(H,11,12)
InChIKeyVPSSGINGPZGSKO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.97
Rot. Bonds2

About 2-(6-methylpyrimidin-4-yl)propanoic acid

2-(6-methylpyrimidin-4-yl)propanoic acid (PubChem CID 82597052) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)propanoic acid
PubChem CID82597052
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(6-methylpyrimidin-4-yl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)ncn1
InChIInChI=1S/C8H10N2O2/c1-5-3-7(10-4-9-5)6(2)8(11)12/h3-4,6H,1-2H3,(H,11,12)
InChIKeyVPSSGINGPZGSKO-UHFFFAOYSA-N
XLogP0.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)propanoic acid (CID 82597052) is 2-(6-methylpyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)propanoic acid is Cc1cc(C(C)C(=O)O)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)propanoic acid?
The InChIKey is VPSSGINGPZGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-7(10-4-9-5)6(2)8(11)12/h3-4,6H,1-2H3,(H,11,12).
What are the key properties of 2-(6-methylpyrimidin-4-yl)propanoic acid?
2-(6-methylpyrimidin-4-yl)propanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 82597052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).