2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid

C12H19N3O2 — CID 55007490

IUPAC2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)c1cc(C(C)C)ncn1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-8(2)10-5-11(14-7-13-10)15(4)6-9(3)12(16)17/h5,7-9H,6H2,1-4H3,(H,16,17)
InChIKeyLUCYZYQGBMMDBE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.76
Rot. Bonds5

About 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid

2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 55007490) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
PubChem CID55007490
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)c1cc(C(C)C)ncn1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-8(2)10-5-11(14-7-13-10)15(4)6-9(3)12(16)17/h5,7-9H,6H2,1-4H3,(H,16,17)
InChIKeyLUCYZYQGBMMDBE-UHFFFAOYSA-N
XLogP1.76
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid (CID 55007490) is 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid is CC(CN(C)c1cc(C(C)C)ncn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is LUCYZYQGBMMDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10-5-11(14-7-13-10)15(4)6-9(3)12(16)17/h5,7-9H,6H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 55007490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).