3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione

C13H23N3O3 — CID 63812363

IUPAC3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCNCCOC)c1=O
InChIInChI=1S/C13H23N3O3/c1-3-8-15-10-5-12(17)16(13(15)18)9-4-6-14-7-11-19-2/h5,10,14H,3-4,6-9,11H2,1-2H3
InChIKeyZDSAGFVIBUWEAB-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.05
Rot. Bonds9

About 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione

3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63812363) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
PubChem CID63812363
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCNCCOC)c1=O
InChIInChI=1S/C13H23N3O3/c1-3-8-15-10-5-12(17)16(13(15)18)9-4-6-14-7-11-19-2/h5,10,14H,3-4,6-9,11H2,1-2H3
InChIKeyZDSAGFVIBUWEAB-UHFFFAOYSA-N
XLogP0.05
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-[3-(2-methoxyethylamino)propyl]-1-methylpyrimidine-2,4-dione
CID 63812509
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63811217
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
CID 63810571
3-[4-(propan-2-ylamino)butyl]-1-propylpyrimidine-2,4-dione
CID 63812517
3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812191
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
CID 63811359
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
CID 63811354
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione (CID 63812363) is 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCCNCCOC)c1=O.
What is the InChIKey of 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is ZDSAGFVIBUWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-8-15-10-5-12(17)16(13(15)18)9-4-6-14-7-11-19-2/h5,10,14H,3-4,6-9,11H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione?
3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 269.34 g/mol, XLogP of 0.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63812363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).