N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine

C12H22N4O2 — CID 106308236

IUPACN-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCCOCCN)ncn1
InChIInChI=1S/C12H22N4O2/c1-2-6-18-12-9-11(15-10-16-12)14-5-3-7-17-8-4-13/h9-10H,2-8,13H2,1H3,(H,14,15,16)
InChIKeyOEFIHQQPTCHBHR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.04
Rot. Bonds10

About N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine

N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine (PubChem CID 106308236) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
PubChem CID106308236
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCCOCCN)ncn1
InChIInChI=1S/C12H22N4O2/c1-2-6-18-12-9-11(15-10-16-12)14-5-3-7-17-8-4-13/h9-10H,2-8,13H2,1H3,(H,14,15,16)
InChIKeyOEFIHQQPTCHBHR-UHFFFAOYSA-N
XLogP1.04
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine (CID 106308236) is N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCCCOCCN)ncn1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine?
The InChIKey is OEFIHQQPTCHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-6-18-12-9-11(15-10-16-12)14-5-3-7-17-8-4-13/h9-10H,2-8,13H2,1H3,(H,14,15,16).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine?
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine has a molecular weight of 254.33 g/mol, XLogP of 1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 106308236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).