4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine

C16H21N5 — CID 80784788

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCN3CCCCC23)c2ccccc2n1
InChIInChI=1S/C16H21N5/c17-16-19-12-6-2-1-5-11(12)15(20-16)18-13-8-10-21-9-4-3-7-14(13)21/h1-2,5-6,13-14H,3-4,7-10H2,(H3,17,18,19,20)
InChIKeyWKCCZBQZIULAHB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.25
Rot. Bonds2

About 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine (PubChem CID 80784788) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
PubChem CID80784788
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCN3CCCCC23)c2ccccc2n1
InChIInChI=1S/C16H21N5/c17-16-19-12-6-2-1-5-11(12)15(20-16)18-13-8-10-21-9-4-3-7-14(13)21/h1-2,5-6,13-14H,3-4,7-10H2,(H3,17,18,19,20)
InChIKeyWKCCZBQZIULAHB-UHFFFAOYSA-N
XLogP2.25
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)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-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine (CID 80784788) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine is Nc1nc(NC2CCN3CCCCC23)c2ccccc2n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine?
The InChIKey is WKCCZBQZIULAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-16-19-12-6-2-1-5-11(12)15(20-16)18-13-8-10-21-9-4-3-7-14(13)21/h1-2,5-6,13-14H,3-4,7-10H2,(H3,17,18,19,20).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80784788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).