1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride

C13H26ClN5O2 — CID 70684255

IUPAC1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCCCNCCCNCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H25N5O2.ClH/c14-5-1-6-15-7-2-8-16-9-3-10-18-11-4-12(19)17-13(18)20;/h4,11,15-16H,1-3,5-10,14H2,(H,17,19,20);1H
InChIKeyMTOJPTBJFKTMNT-UHFFFAOYSA-N
MW319.84 g/mol
LogP-0.73
Rot. Bonds11

About 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride

1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride (PubChem CID 70684255) has the molecular formula C13H26ClN5O2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride
PubChem CID70684255
Molecular FormulaC13H26ClN5O2
Molecular Weight319.84 g/mol
Exact Mass319.18
IUPAC Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCCCNCCCNCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H25N5O2.ClH/c14-5-1-6-15-7-2-8-16-9-3-10-18-11-4-12(19)17-13(18)20;/h4,11,15-16H,1-3,5-10,14H2,(H,17,19,20);1H
InChIKeyMTOJPTBJFKTMNT-UHFFFAOYSA-N
XLogP-0.73
TPSA104.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
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 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride (CID 70684255) is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride is Cl.NCCCNCCCNCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is MTOJPTBJFKTMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2.ClH/c14-5-1-6-15-7-2-8-16-9-3-10-18-11-4-12(19)17-13(18)20;/h4,11,15-16H,1-3,5-10,14H2,(H,17,19,20);1H.
What are the key properties of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride?
1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of -0.73, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 70684255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).