3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione

C13H23N3O3 — CID 107706796

IUPAC3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(CCCCCCO)c1=O
InChIInChI=1S/C13H23N3O3/c14-7-5-9-16-12(18)6-10-15(13(16)19)8-3-1-2-4-11-17/h6,10,17H,1-5,7-9,11,14H2
InChIKeyWEIOVUOZABTBLM-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.09
Rot. Bonds9

About 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione

3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione (PubChem CID 107706796) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
PubChem CID107706796
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione
SMILESNCCCn1c(=O)ccn(CCCCCCO)c1=O
InChIInChI=1S/C13H23N3O3/c14-7-5-9-16-12(18)6-10-15(13(16)19)8-3-1-2-4-11-17/h6,10,17H,1-5,7-9,11,14H2
InChIKeyWEIOVUOZABTBLM-UHFFFAOYSA-N
XLogP-0.09
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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-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-(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-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
CID 106934090
3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905
3-(3-aminopropyl)-1-[2-(2-methylpropoxy)ethyl]pyrimidine-2,4-dione
CID 106933752
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
CID 107705197
3-(3-aminopropyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 106933888

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione (CID 107706796) is 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione is NCCCn1c(=O)ccn(CCCCCCO)c1=O.
What is the InChIKey of 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione?
The InChIKey is WEIOVUOZABTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-7-5-9-16-12(18)6-10-15(13(16)19)8-3-1-2-4-11-17/h6,10,17H,1-5,7-9,11,14H2.
What are the key properties of 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione?
3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione has a molecular weight of 269.34 g/mol, XLogP of -0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(6-hydroxyhexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 107706796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).