2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid

C11H17N3O2 — CID 62095858

IUPAC2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(N(C)C)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-6(10(15)16)9-7(2)12-11(14(4)5)13-8(9)3/h6H,1-5H3,(H,15,16)
InChIKeyRJZDQCNCTGJJSX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.35
Rot. Bonds3

About 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid

2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid (PubChem CID 62095858) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
PubChem CID62095858
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(N(C)C)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-6(10(15)16)9-7(2)12-11(14(4)5)13-8(9)3/h6H,1-5H3,(H,15,16)
InChIKeyRJZDQCNCTGJJSX-UHFFFAOYSA-N
XLogP1.35
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid (CID 62095858) is 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid is Cc1nc(N(C)C)nc(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The InChIKey is RJZDQCNCTGJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(10(15)16)9-7(2)12-11(14(4)5)13-8(9)3/h6H,1-5H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 62095858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).