3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione

C12H21N3O3 — CID 106933817

IUPAC3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
SMILESCOCCCCn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C12H21N3O3/c1-18-10-3-2-7-14-9-5-11(16)15(12(14)17)8-4-6-13/h5,9H,2-4,6-8,10,13H2,1H3
InChIKeyIHXNLSQNTLLVSL-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.21
Rot. Bonds8

About 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione

3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione (PubChem CID 106933817) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
PubChem CID106933817
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
SMILESCOCCCCn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C12H21N3O3/c1-18-10-3-2-7-14-9-5-11(16)15(12(14)17)8-4-6-13/h5,9H,2-4,6-8,10,13H2,1H3
InChIKeyIHXNLSQNTLLVSL-UHFFFAOYSA-N
XLogP-0.21
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.21
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-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812363
1-(4-methoxybutyl)-3-methylimidazol-2-one
CID 115773746
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione (CID 106933817) is 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione is COCCCCn1ccc(=O)n(CCCN)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione?
The InChIKey is IHXNLSQNTLLVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-18-10-3-2-7-14-9-5-11(16)15(12(14)17)8-4-6-13/h5,9H,2-4,6-8,10,13H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione has a molecular weight of 255.32 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106933817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).