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

C13H19N3O4 — CID 79792961

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1c(C)nc(=O)[nH]c1C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-5-13(4,11(18)19)16-10(17)6-9-7(2)14-12(20)15-8(9)3/h5-6H2,1-4H3,(H,16,17)(H,18,19)(H,14,15,20)
InChIKeyQOZXTWCZKZUOMC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.30
Rot. Bonds5

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

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 79792961) 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]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid
PubChem CID79792961
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1c(C)nc(=O)[nH]c1C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-5-13(4,11(18)19)16-10(17)6-9-7(2)14-12(20)15-8(9)3/h5-6H2,1-4H3,(H,16,17)(H,18,19)(H,14,15,20)
InChIKeyQOZXTWCZKZUOMC-UHFFFAOYSA-N
XLogP0.30
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
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]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid (CID 79792961) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)Cc1c(C)nc(=O)[nH]c1C)C(=O)O.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is QOZXTWCZKZUOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-5-13(4,11(18)19)16-10(17)6-9-7(2)14-12(20)15-8(9)3/h5-6H2,1-4H3,(H,16,17)(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]amino]-2-methylbutanoic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 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]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).