2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide

C11H17N3O3 — CID 71019141

IUPAC2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
SMILESCC(C)(C)Cn1c(=O)cc(CC(N)=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-11(2,3)6-14-9(16)5-7(4-8(12)15)13-10(14)17/h5H,4,6H2,1-3H3,(H2,12,15)(H,13,17)
InChIKeyTYLXKMKUYSKQHG-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.39
Rot. Bonds3

About 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide

2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide (PubChem CID 71019141) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
PubChem CID71019141
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
SMILESCC(C)(C)Cn1c(=O)cc(CC(N)=O)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-11(2,3)6-14-9(16)5-7(4-8(12)15)13-10(14)17/h5H,4,6H2,1-3H3,(H2,12,15)(H,13,17)
InChIKeyTYLXKMKUYSKQHG-UHFFFAOYSA-N
XLogP-0.39
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide (CID 71019141) is 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide is CC(C)(C)Cn1c(=O)cc(CC(N)=O)[nH]c1=O.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
The InChIKey is TYLXKMKUYSKQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)6-14-9(16)5-7(4-8(12)15)13-10(14)17/h5H,4,6H2,1-3H3,(H2,12,15)(H,13,17).
What are the key properties of 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide?
2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide is sourced from PubChem (CID 71019141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).