6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione

C11H19N3O2 — CID 22368948

IUPAC6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCNCCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O2/c1-4-12-7-5-6-9-8-10(15)14(3)11(16)13(9)2/h8,12H,4-7H2,1-3H3
InChIKeyRMIICSQBJSCHIP-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.37
Rot. Bonds5

About 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione

6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 22368948) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID22368948
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCNCCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H19N3O2/c1-4-12-7-5-6-9-8-10(15)14(3)11(16)13(9)2/h8,12H,4-7H2,1-3H3
InChIKeyRMIICSQBJSCHIP-UHFFFAOYSA-N
XLogP-0.37
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.37
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 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione (CID 22368948) is 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione is CCNCCCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RMIICSQBJSCHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-12-7-5-6-9-8-10(15)14(3)11(16)13(9)2/h8,12H,4-7H2,1-3H3.
What are the key properties of 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(ethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 22368948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).