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

C12H19N3O2 — CID 55123738

IUPAC2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc(N(C)C(C)(C)C(=O)O)ncn1
InChIInChI=1S/C12H19N3O2/c1-8(2)9-6-10(14-7-13-9)15(5)12(3,4)11(16)17/h6-8H,1-5H3,(H,16,17)
InChIKeyYSPBNILSUWJBKW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.90
Rot. Bonds4

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

2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 55123738) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
PubChem CID55123738
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc(N(C)C(C)(C)C(=O)O)ncn1
InChIInChI=1S/C12H19N3O2/c1-8(2)9-6-10(14-7-13-9)15(5)12(3,4)11(16)17/h6-8H,1-5H3,(H,16,17)
InChIKeyYSPBNILSUWJBKW-UHFFFAOYSA-N
XLogP1.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid (CID 55123738) is 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid is CC(C)c1cc(N(C)C(C)(C)C(=O)O)ncn1.
What is the InChIKey of 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is YSPBNILSUWJBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)9-6-10(14-7-13-9)15(5)12(3,4)11(16)17/h6-8H,1-5H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 55123738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).