2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

C11H17N3O5 — CID 103799452

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O5/c1-19-7-8(3-5-15)12-10(17)6-14-4-2-9(16)13-11(14)18/h2,4,8,15H,3,5-7H2,1H3,(H,12,17)(H,13,16,18)
InChIKeyWMHNUIOWWYPUGV-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.95
Rot. Bonds7

About 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (PubChem CID 103799452) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
PubChem CID103799452
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
SMILESCOCC(CCO)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O5/c1-19-7-8(3-5-15)12-10(17)6-14-4-2-9(16)13-11(14)18/h2,4,8,15H,3,5-7H2,1H3,(H,12,17)(H,13,16,18)
InChIKeyWMHNUIOWWYPUGV-UHFFFAOYSA-N
XLogP-1.95
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide (CID 103799452) is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is COCC(CCO)NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
The InChIKey is WMHNUIOWWYPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-19-7-8(3-5-15)12-10(17)6-14-4-2-9(16)13-11(14)18/h2,4,8,15H,3,5-7H2,1H3,(H,12,17)(H,13,16,18).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide has a molecular weight of 271.27 g/mol, XLogP of -1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 103799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).