2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid

C13H19N3O4 — CID 62819181

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-7-9(8(2)15-12(20)14-7)6-10(17)16(5)13(3,4)11(18)19/h6H2,1-5H3,(H,18,19)(H,14,15,20)
InChIKeyIQBMZVUVWYWDHB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.25
Rot. Bonds4

About 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62819181) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID62819181
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-7-9(8(2)15-12(20)14-7)6-10(17)16(5)13(3,4)11(18)19/h6H2,1-5H3,(H,18,19)(H,14,15,20)
InChIKeyIQBMZVUVWYWDHB-UHFFFAOYSA-N
XLogP0.25
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 62819181) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is IQBMZVUVWYWDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-7-9(8(2)15-12(20)14-7)6-10(17)16(5)13(3,4)11(18)19/h6H2,1-5H3,(H,18,19)(H,14,15,20).
What are the key properties of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).