1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione

C11H19N3O2 — CID 63810571

IUPAC1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
SMILESCCNCCCn1c(=O)ccn(CC)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-12-7-5-8-14-10(15)6-9-13(4-2)11(14)16/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyADINKTOJGAPZDR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.03
Rot. Bonds6

About 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione

1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione (PubChem CID 63810571) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
PubChem CID63810571
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
SMILESCCNCCCn1c(=O)ccn(CC)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-12-7-5-8-14-10(15)6-9-13(4-2)11(14)16/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyADINKTOJGAPZDR-UHFFFAOYSA-N
XLogP0.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione (CID 63810571) is 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione is CCNCCCn1c(=O)ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione?
The InChIKey is ADINKTOJGAPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-12-7-5-8-14-10(15)6-9-13(4-2)11(14)16/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione?
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63810571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).