2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid

C12H19N3O3 — CID 136958800

IUPAC2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1nc(N(C)C(C)(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-7(2)10-13-8(6-9(16)14-10)15(5)12(3,4)11(17)18/h6-7H,1-5H3,(H,17,18)(H,13,14,16)
InChIKeyGUIHRKKIAAXMAK-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid

2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958800) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958800
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1nc(N(C)C(C)(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c1-7(2)10-13-8(6-9(16)14-10)15(5)12(3,4)11(17)18/h6-7H,1-5H3,(H,17,18)(H,13,14,16)
InChIKeyGUIHRKKIAAXMAK-UHFFFAOYSA-N
XLogP1.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959230
3,3,3-trifluoro-2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959291
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 136959292
3,3,3-trifluoro-2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959293
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 137015883
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958336
2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958337
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958800) is 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid is CC(C)c1nc(N(C)C(C)(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is GUIHRKKIAAXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)10-13-8(6-9(16)14-10)15(5)12(3,4)11(17)18/h6-7H,1-5H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).