5-chloroquinazolin-2-amine

C8H6ClN3 — CID 1479552

IUPAC5-chloroquinazolin-2-amine
SMILESNc1ncc2c(Cl)cccc2n1
InChIInChI=1S/C8H6ClN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
InChIKeyNUJGYORYWLHYGS-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.87
Rot. Bonds

About 5-chloroquinazolin-2-amine

5-chloroquinazolin-2-amine (PubChem CID 1479552) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 5-chloroquinazolin-2-amine.

Molecular Properties

Compound Name5-chloroquinazolin-2-amine
PubChem CID1479552
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name5-chloroquinazolin-2-amine
SMILESNc1ncc2c(Cl)cccc2n1
InChIInChI=1S/C8H6ClN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H,(H2,10,11,12)
InChIKeyNUJGYORYWLHYGS-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloroquinazolin-2-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 5-chloroquinazolin-2-amine?
The IUPAC name of 5-chloroquinazolin-2-amine (CID 1479552) is 5-chloroquinazolin-2-amine.
What is the SMILES notation for 5-chloroquinazolin-2-amine?
The canonical SMILES for 5-chloroquinazolin-2-amine is Nc1ncc2c(Cl)cccc2n1.
What is the InChIKey of 5-chloroquinazolin-2-amine?
The InChIKey is NUJGYORYWLHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H,(H2,10,11,12).
What are the key properties of 5-chloroquinazolin-2-amine?
5-chloroquinazolin-2-amine has a molecular weight of 179.61 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroquinazolin-2-amine is sourced from PubChem (CID 1479552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).