2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide

C9H13N3O4 — CID 112599391

IUPAC2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
SMILESCCc1c(O)n(C(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-3-5-7(14)11-9(16)12(8(5)15)4(2)6(10)13/h4,15H,3H2,1-2H3,(H2,10,13)(H,11,14,16)
InChIKeyDZDLNKWCWDKVAS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.15
Rot. Bonds3

About 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide

2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 112599391) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID112599391
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
SMILESCCc1c(O)n(C(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-3-5-7(14)11-9(16)12(8(5)15)4(2)6(10)13/h4,15H,3H2,1-2H3,(H2,10,13)(H,11,14,16)
InChIKeyDZDLNKWCWDKVAS-UHFFFAOYSA-N
XLogP-1.15
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 115947446
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
CID 112600250
5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
CID 115947730
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
CID 115948535
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide (CID 112599391) is 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide is CCc1c(O)n(C(C)C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is DZDLNKWCWDKVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-5-7(14)11-9(16)12(8(5)15)4(2)6(10)13/h4,15H,3H2,1-2H3,(H2,10,13)(H,11,14,16).
What are the key properties of 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide?
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 227.22 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 112599391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).