3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione

C13H23N3O3 — CID 106933752

IUPAC3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
SMILESCC(C)COCCn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C13H23N3O3/c1-11(2)10-19-9-8-15-7-4-12(17)16(13(15)18)6-3-5-14/h4,7,11H,3,5-6,8-10,14H2,1-2H3
InChIKeyQOTXYEACPOXEHL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.03
Rot. Bonds8

About 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione

3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 106933752) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
PubChem CID106933752
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
SMILESCC(C)COCCn1ccc(=O)n(CCCN)c1=O
InChIInChI=1S/C13H23N3O3/c1-11(2)10-19-9-8-15-7-4-12(17)16(13(15)18)6-3-5-14/h4,7,11H,3,5-6,8-10,14H2,1-2H3
InChIKeyQOTXYEACPOXEHL-UHFFFAOYSA-N
XLogP0.03
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.03
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-(2-methylpropyl)pyrimidine-2,4-dione
CID 106933852
3-(3-aminopropyl)-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 106933871
3-(3-aminopropyl)-1-(3-hydroxybutyl)pyrimidine-2,4-dione
CID 106933846
3-(3-aminopropyl)-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 106933817
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
CID 106934090
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
CID 107706796
3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
CID 65177778
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione (CID 106933752) is 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione is CC(C)COCCn1ccc(=O)n(CCCN)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is QOTXYEACPOXEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-11(2)10-19-9-8-15-7-4-12(17)16(13(15)18)6-3-5-14/h4,7,11H,3,5-6,8-10,14H2,1-2H3.
What are the key properties of 3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 269.34 g/mol, XLogP of 0.03, 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-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106933752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).