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

C11H19N3O3 — CID 106933871

IUPAC3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
SMILESCOCCCn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C11H19N3O3/c1-17-9-3-6-13-8-4-10(15)14(11(13)16)7-2-5-12/h4,8H,2-3,5-7,9,12H2,1H3
InChIKeyHSGLPYLKVNWNNJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.60
Rot. Bonds7

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

3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione (PubChem CID 106933871) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
PubChem CID106933871
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
SMILESCOCCCn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C11H19N3O3/c1-17-9-3-6-13-8-4-10(15)14(11(13)16)7-2-5-12/h4,8H,2-3,5-7,9,12H2,1H3
InChIKeyHSGLPYLKVNWNNJ-UHFFFAOYSA-N
XLogP-0.60
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.60
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-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
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
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione (CID 106933871) is 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione is COCCCn1ccc(=O)n(CCCN)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione?
The InChIKey is HSGLPYLKVNWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-17-9-3-6-13-8-4-10(15)14(11(13)16)7-2-5-12/h4,8H,2-3,5-7,9,12H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106933871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).