1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione

C14H27N5O2 — CID 70682145

IUPAC1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCNCCCNCCCN)c(=O)[nH]c1=O
InChIInChI=1S/C14H27N5O2/c1-12-11-19(14(21)18-13(12)20)10-4-9-17-8-3-7-16-6-2-5-15/h11,16-17H,2-10,15H2,1H3,(H,18,20,21)
InChIKeyPEEPARSBAVLFKL-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.85
Rot. Bonds11

About 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione

1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione (PubChem CID 70682145) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione
PubChem CID70682145
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCNCCCNCCCN)c(=O)[nH]c1=O
InChIInChI=1S/C14H27N5O2/c1-12-11-19(14(21)18-13(12)20)10-4-9-17-8-3-7-16-6-2-5-15/h11,16-17H,2-10,15H2,1H3,(H,18,20,21)
InChIKeyPEEPARSBAVLFKL-UHFFFAOYSA-N
XLogP-0.85
TPSA104.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.85
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]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione (CID 70682145) is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCCNCCCNCCCN)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is PEEPARSBAVLFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-12-11-19(14(21)18-13(12)20)10-4-9-17-8-3-7-16-6-2-5-15/h11,16-17H,2-10,15H2,1H3,(H,18,20,21).
What are the key properties of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione?
1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 297.40 g/mol, XLogP of -0.85, 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]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70682145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).