2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C13H20N4O4 — CID 45280787

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cn(CC(=O)NCCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O4/c1-10-8-17(13(20)15-12(10)19)9-11(18)14-2-3-16-4-6-21-7-5-16/h8H,2-7,9H2,1H3,(H,14,18)(H,15,19,20)
InChIKeyIATQQNMEPOPHPO-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.71
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 45280787) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID45280787
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cn(CC(=O)NCCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N4O4/c1-10-8-17(13(20)15-12(10)19)9-11(18)14-2-3-16-4-6-21-7-5-16/h8H,2-7,9H2,1H3,(H,14,18)(H,15,19,20)
InChIKeyIATQQNMEPOPHPO-UHFFFAOYSA-N
XLogP-1.71
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 45280787) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cn(CC(=O)NCCN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is IATQQNMEPOPHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-10-8-17(13(20)15-12(10)19)9-11(18)14-2-3-16-4-6-21-7-5-16/h8H,2-7,9H2,1H3,(H,14,18)(H,15,19,20).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 45280787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).