N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine

C14H26N4O3 — CID 126562895

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine
SMILESNCCCOCCOCCOCCCNc1ncccn1
InChIInChI=1S/C14H26N4O3/c15-4-1-8-19-10-12-21-13-11-20-9-3-7-18-14-16-5-2-6-17-14/h2,5-6H,1,3-4,7-13,15H2,(H,16,17,18)
InChIKeyRQUSODZQZYSJBH-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.68
Rot. Bonds14

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine (PubChem CID 126562895) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine
PubChem CID126562895
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine
SMILESNCCCOCCOCCOCCCNc1ncccn1
InChIInChI=1S/C14H26N4O3/c15-4-1-8-19-10-12-21-13-11-20-9-3-7-18-14-16-5-2-6-17-14/h2,5-6H,1,3-4,7-13,15H2,(H,16,17,18)
InChIKeyRQUSODZQZYSJBH-UHFFFAOYSA-N
XLogP0.68
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine (CID 126562895) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine is NCCCOCCOCCOCCCNc1ncccn1.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine?
The InChIKey is RQUSODZQZYSJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c15-4-1-8-19-10-12-21-13-11-20-9-3-7-18-14-16-5-2-6-17-14/h2,5-6H,1,3-4,7-13,15H2,(H,16,17,18).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 0.68, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrimidin-2-amine is sourced from PubChem (CID 126562895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).