4-chloro-2-methylquinazolin-6-amine

C9H8ClN3 — CID 124908084

IUPAC4-chloro-2-methylquinazolin-6-amine
SMILESCc1nc(Cl)c2cc(N)ccc2n1
InChIInChI=1S/C9H8ClN3/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,11H2,1H3
InChIKeyJOHNMFACYXIQKF-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.17
Rot. Bonds

About 4-chloro-2-methylquinazolin-6-amine

4-chloro-2-methylquinazolin-6-amine (PubChem CID 124908084) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 4-chloro-2-methylquinazolin-6-amine.

Molecular Properties

Compound Name4-chloro-2-methylquinazolin-6-amine
PubChem CID124908084
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name4-chloro-2-methylquinazolin-6-amine
SMILESCc1nc(Cl)c2cc(N)ccc2n1
InChIInChI=1S/C9H8ClN3/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,11H2,1H3
InChIKeyJOHNMFACYXIQKF-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylquinazolin-6-amine?
The IUPAC name of 4-chloro-2-methylquinazolin-6-amine (CID 124908084) is 4-chloro-2-methylquinazolin-6-amine.
What is the SMILES notation for 4-chloro-2-methylquinazolin-6-amine?
The canonical SMILES for 4-chloro-2-methylquinazolin-6-amine is Cc1nc(Cl)c2cc(N)ccc2n1.
What is the InChIKey of 4-chloro-2-methylquinazolin-6-amine?
The InChIKey is JOHNMFACYXIQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,11H2,1H3.
What are the key properties of 4-chloro-2-methylquinazolin-6-amine?
4-chloro-2-methylquinazolin-6-amine has a molecular weight of 193.64 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylquinazolin-6-amine is sourced from PubChem (CID 124908084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).