2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

C13H21N4O4+ — CID 2149977

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCC[NH+]1CCOCC1
InChIInChI=1S/C13H20N4O4/c18-11(8-10-9-12(19)16-13(20)15-10)14-2-1-3-17-4-6-21-7-5-17/h9H,1-8H2,(H,14,18)(H2,15,16,19,20)/p+1
InChIKeyYGQHWASZESLBNP-UHFFFAOYSA-O
MW297.33 g/mol
LogP-2.97
Rot. Bonds6

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide (PubChem CID 2149977) has the molecular formula C13H21N4O4+ and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
PubChem CID2149977
Molecular FormulaC13H21N4O4+
Molecular Weight297.33 g/mol
Exact Mass297.16
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCC[NH+]1CCOCC1
InChIInChI=1S/C13H20N4O4/c18-11(8-10-9-12(19)16-13(20)15-10)14-2-1-3-17-4-6-21-7-5-17/h9H,1-8H2,(H,14,18)(H2,15,16,19,20)/p+1
InChIKeyYGQHWASZESLBNP-UHFFFAOYSA-O
XLogP-2.97
TPSA108.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 5-2.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide (CID 2149977) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCC[NH+]1CCOCC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The InChIKey is YGQHWASZESLBNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N4O4/c18-11(8-10-9-12(19)16-13(20)15-10)14-2-1-3-17-4-6-21-7-5-17/h9H,1-8H2,(H,14,18)(H2,15,16,19,20)/p+1.
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of -2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide is sourced from PubChem (CID 2149977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).