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

C14H28ClN5O2 — CID 70682144

IUPAC1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride
SMILESCc1cn(CCCNCCCNCCCN)c(=O)[nH]c1=O.Cl
InChIInChI=1S/C14H27N5O2.ClH/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);1H
InChIKeyDWDKWMDGHQKDTQ-UHFFFAOYSA-N
MW333.86 g/mol
LogP-0.42
Rot. Bonds11

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

1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 70682144) has the molecular formula C14H28ClN5O2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID70682144
Molecular FormulaC14H28ClN5O2
Molecular Weight333.86 g/mol
Exact Mass333.19
IUPAC Name1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride
SMILESCc1cn(CCCNCCCNCCCN)c(=O)[nH]c1=O.Cl
InChIInChI=1S/C14H27N5O2.ClH/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);1H
InChIKeyDWDKWMDGHQKDTQ-UHFFFAOYSA-N
XLogP-0.42
TPSA104.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 5-0.42
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;hydrochloride?
The IUPAC name of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride (CID 70682144) is 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride is Cc1cn(CCCNCCCNCCCN)c(=O)[nH]c1=O.Cl.
What is the InChIKey of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is DWDKWMDGHQKDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2.ClH/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);1H.
What are the key properties of 1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride?
1-[3-[3-(3-aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of -0.42, 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;hydrochloride is sourced from PubChem (CID 70682144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).