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

C13H25N5O2 — CID 70684256

IUPAC1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione
SMILESNCCCNCCCNCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H25N5O2/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)
InChIKeyIIXAISBDVXDKGM-UHFFFAOYSA-N
MW283.38 g/mol
LogP-1.16
Rot. Bonds11

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

1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione (PubChem CID 70684256) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione
PubChem CID70684256
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione
SMILESNCCCNCCCNCCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H25N5O2/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)
InChIKeyIIXAISBDVXDKGM-UHFFFAOYSA-N
XLogP-1.16
TPSA104.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.16
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?
The IUPAC name of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione (CID 70684256) is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione is NCCCNCCCNCCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione?
The InChIKey is IIXAISBDVXDKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/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).
What are the key properties of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione?
1-[3-[3-(3-aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione has a molecular weight of 283.38 g/mol, XLogP of -1.16, 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 is sourced from PubChem (CID 70684256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).