6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine

C13H23N3O3 — CID 103176433

IUPAC6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCCOCCCOC
InChIInChI=1S/C13H23N3O3/c1-3-5-11-12(14)15-10-16-13(11)19-9-8-18-7-4-6-17-2/h10H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyNBQXNQUEKJUPMG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.44
Rot. Bonds10

About 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine

6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine (PubChem CID 103176433) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
PubChem CID103176433
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCCOCCCOC
InChIInChI=1S/C13H23N3O3/c1-3-5-11-12(14)15-10-16-13(11)19-9-8-18-7-4-6-17-2/h10H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyNBQXNQUEKJUPMG-UHFFFAOYSA-N
XLogP1.44
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine (CID 103176433) is 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1OCCOCCCOC.
What is the InChIKey of 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine?
The InChIKey is NBQXNQUEKJUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-5-11-12(14)15-10-16-13(11)19-9-8-18-7-4-6-17-2/h10H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine?
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 103176433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).