4-N-(3-ethoxypropyl)quinazoline-2,4-diamine

C13H18N4O — CID 80773022

IUPAC4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
SMILESCCOCCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C13H18N4O/c1-2-18-9-5-8-15-12-10-6-3-4-7-11(10)16-13(14)17-12/h3-4,6-7H,2,5,8-9H2,1H3,(H3,14,15,16,17)
InChIKeyPYIFKPGHNJQPDQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds6

About 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine

4-N-(3-ethoxypropyl)quinazoline-2,4-diamine (PubChem CID 80773022) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
PubChem CID80773022
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
SMILESCCOCCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C13H18N4O/c1-2-18-9-5-8-15-12-10-6-3-4-7-11(10)16-13(14)17-12/h3-4,6-7H,2,5,8-9H2,1H3,(H3,14,15,16,17)
InChIKeyPYIFKPGHNJQPDQ-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine 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 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine (CID 80773022) is 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine is CCOCCCNc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine?
The InChIKey is PYIFKPGHNJQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-18-9-5-8-15-12-10-6-3-4-7-11(10)16-13(14)17-12/h3-4,6-7H,2,5,8-9H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine?
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80773022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).