3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid

C12H19N3O4 — CID 79623788

IUPAC3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCCCn1cc(N)c(=O)n(CC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C12H19N3O4/c1-4-5-14-6-8(13)9(16)15(11(14)19)7-12(2,3)10(17)18/h6H,4-5,7,13H2,1-3H3,(H,17,18)
InChIKeyMAUSIFVQTTUOSL-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.11
Rot. Bonds5

About 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid

3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 79623788) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID79623788
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCCCn1cc(N)c(=O)n(CC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C12H19N3O4/c1-4-5-14-6-8(13)9(16)15(11(14)19)7-12(2,3)10(17)18/h6H,4-5,7,13H2,1-3H3,(H,17,18)
InChIKeyMAUSIFVQTTUOSL-UHFFFAOYSA-N
XLogP0.11
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid (CID 79623788) is 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid is CCCn1cc(N)c(=O)n(CC(C)(C)C(=O)O)c1=O.
What is the InChIKey of 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is MAUSIFVQTTUOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-5-14-6-8(13)9(16)15(11(14)19)7-12(2,3)10(17)18/h6H,4-5,7,13H2,1-3H3,(H,17,18).
What are the key properties of 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid?
3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79623788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).