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

C12H21N3O3 — CID 67689780

IUPAC6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCNCCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H21N3O3/c1-14-10(5-4-6-13-7-8-18-3)9-11(16)15(2)12(14)17/h9,13H,4-8H2,1-3H3
InChIKeyUNENEJJFEFWZQE-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.75
Rot. Bonds7

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

6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 67689780) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID67689780
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCNCCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H21N3O3/c1-14-10(5-4-6-13-7-8-18-3)9-11(16)15(2)12(14)17/h9,13H,4-8H2,1-3H3
InChIKeyUNENEJJFEFWZQE-UHFFFAOYSA-N
XLogP-0.75
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.75
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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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione (CID 67689780) is 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione is COCCNCCCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UNENEJJFEFWZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-14-10(5-4-6-13-7-8-18-3)9-11(16)15(2)12(14)17/h9,13H,4-8H2,1-3H3.
What are the key properties of 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 255.32 g/mol, XLogP of -0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethylamino)propyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67689780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).