2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid

C10H14N2O2 — CID 105448076

IUPAC2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)nc(C)c1C
InChIInChI=1S/C10H14N2O2/c1-5-7(3)11-9(12-8(5)4)6(2)10(13)14/h6H,1-4H3,(H,13,14)
InChIKeyXDCBLCNJRAQYTK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds2

About 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid

2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid (PubChem CID 105448076) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid
PubChem CID105448076
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)nc(C)c1C
InChIInChI=1S/C10H14N2O2/c1-5-7(3)11-9(12-8(5)4)6(2)10(13)14/h6H,1-4H3,(H,13,14)
InChIKeyXDCBLCNJRAQYTK-UHFFFAOYSA-N
XLogP1.59
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 116727389
2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62095858
2-amino-2-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)acetic acid
CID 115033881
2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine
CID 63321233
2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid
CID 105363547
2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
CID 83880579
2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoic acid
CID 23471517
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989598
2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid
CID 105462961
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propanoic acid
CID 23005851
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid (CID 105448076) is 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid is Cc1nc(C(C)C(=O)O)nc(C)c1C.
What is the InChIKey of 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid?
The InChIKey is XDCBLCNJRAQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5-7(3)11-9(12-8(5)4)6(2)10(13)14/h6H,1-4H3,(H,13,14).
What are the key properties of 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid?
2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 105448076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).