2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide

C11H14BrN3O4 — CID 107104248

IUPAC2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)NC1CCOCC1
InChIInChI=1S/C11H14BrN3O4/c12-8-5-13-11(18)15(10(8)17)6-9(16)14-7-1-3-19-4-2-7/h5,7H,1-4,6H2,(H,13,18)(H,14,16)
InChIKeySPBOSKHMRLBBQZ-UHFFFAOYSA-N
MW332.15 g/mol
LogP-0.41
Rot. Bonds3

About 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide

2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide (PubChem CID 107104248) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide
PubChem CID107104248
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)NC1CCOCC1
InChIInChI=1S/C11H14BrN3O4/c12-8-5-13-11(18)15(10(8)17)6-9(16)14-7-1-3-19-4-2-7/h5,7H,1-4,6H2,(H,13,18)(H,14,16)
InChIKeySPBOSKHMRLBBQZ-UHFFFAOYSA-N
XLogP-0.41
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 63098014
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603459
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63810941
2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide
CID 136555397
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
CID 83205581
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
CID 155531536
2-(4-aminopyrazol-1-yl)-N-(oxan-4-yl)acetamide
CID 43609571

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide (CID 107104248) is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide is O=C(Cn1c(=O)[nH]cc(Br)c1=O)NC1CCOCC1.
What is the InChIKey of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is SPBOSKHMRLBBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c12-8-5-13-11(18)15(10(8)17)6-9(16)14-7-1-3-19-4-2-7/h5,7H,1-4,6H2,(H,13,18)(H,14,16).
What are the key properties of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide?
2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 332.15 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 107104248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).