N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide

C13H19N3O4 — CID 115948702

IUPACN-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
SMILESCCc1c(O)n(CCCC(=O)NC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O4/c1-2-9-11(18)15-13(20)16(12(9)19)7-3-4-10(17)14-8-5-6-8/h8,19H,2-7H2,1H3,(H,14,17)(H,15,18,20)
InChIKeyFROUSCXINJCASI-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.14
Rot. Bonds6

About N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide

N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide (PubChem CID 115948702) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
PubChem CID115948702
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
SMILESCCc1c(O)n(CCCC(=O)NC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O4/c1-2-9-11(18)15-13(20)16(12(9)19)7-3-4-10(17)14-8-5-6-8/h8,19H,2-7H2,1H3,(H,14,17)(H,15,18,20)
InChIKeyFROUSCXINJCASI-UHFFFAOYSA-N
XLogP-0.14
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide
CID 79377062
3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(4-methylcyclohexyl)propanamide
CID 42997489
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22588192
N-cyclopropyl-4-(2-oxoimidazolidin-1-yl)butanamide
CID 115370774

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide?
The IUPAC name of N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide (CID 115948702) is N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide is CCc1c(O)n(CCCC(=O)NC2CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide?
The InChIKey is FROUSCXINJCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-9-11(18)15-13(20)16(12(9)19)7-3-4-10(17)14-8-5-6-8/h8,19H,2-7H2,1H3,(H,14,17)(H,15,18,20).
What are the key properties of N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide?
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide has a molecular weight of 281.31 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 115948702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).