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

C13H20N4O4 — CID 2149978

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCCN1CCOCC1
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)
InChIKeyYGQHWASZESLBNP-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.56
Rot. Bonds6

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 2149978) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID2149978
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCCN1CCOCC1
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)
InChIKeyYGQHWASZESLBNP-UHFFFAOYSA-N
XLogP-1.56
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ylpropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 2149978) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCCN1CCOCC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is YGQHWASZESLBNP-UHFFFAOYSA-N. 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).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of -1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 2149978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).