5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione

C12H21N3O2 — CID 66327971

IUPAC5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione
SMILESCCNCCCCn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-3-10-9-15(12(17)14-11(10)16)8-6-5-7-13-4-2/h9,13H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyFDDXYIKSHJJWFO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.49
Rot. Bonds7

About 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione

5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione (PubChem CID 66327971) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione
PubChem CID66327971
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione
SMILESCCNCCCCn1cc(CC)c(=O)[nH]c1=O
InChIInChI=1S/C12H21N3O2/c1-3-10-9-15(12(17)14-11(10)16)8-6-5-7-13-4-2/h9,13H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyFDDXYIKSHJJWFO-UHFFFAOYSA-N
XLogP0.49
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione
CID 66330717
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
5-ethyl-1-[2-(prop-2-ynylamino)ethyl]pyrimidine-2,4-dione
CID 66327962
4-(5-ethyl-2,4-dioxopyrimidin-1-yl)butanenitrile
CID 66330702
5-ethyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 66330325
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
1-[2-(1-cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
CID 66329530
1-[4-(tert-butylamino)butyl]-5-fluoropyrimidine-2,4-dione
CID 55220321
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
CID 79395673
methyl 2-ethyl-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 79034306

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione (CID 66327971) is 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione is CCNCCCCn1cc(CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione?
The InChIKey is FDDXYIKSHJJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10-9-15(12(17)14-11(10)16)8-6-5-7-13-4-2/h9,13H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione?
5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[4-(ethylamino)butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66327971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).