6,7-dichloro-2-methylquinazolin-4-amine

C9H7Cl2N3 — CID 122198309

IUPAC6,7-dichloro-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C9H7Cl2N3/c1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4/h2-3H,1H3,(H2,12,13,14)
InChIKeyGFYOXDGOPMJGAT-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.83
Rot. Bonds

About 6,7-dichloro-2-methylquinazolin-4-amine

6,7-dichloro-2-methylquinazolin-4-amine (PubChem CID 122198309) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 6,7-dichloro-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dichloro-2-methylquinazolin-4-amine
PubChem CID122198309
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name6,7-dichloro-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C9H7Cl2N3/c1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4/h2-3H,1H3,(H2,12,13,14)
InChIKeyGFYOXDGOPMJGAT-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylquinazolin-4-amine?
The IUPAC name of 6,7-dichloro-2-methylquinazolin-4-amine (CID 122198309) is 6,7-dichloro-2-methylquinazolin-4-amine.
What is the SMILES notation for 6,7-dichloro-2-methylquinazolin-4-amine?
The canonical SMILES for 6,7-dichloro-2-methylquinazolin-4-amine is Cc1nc(N)c2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 6,7-dichloro-2-methylquinazolin-4-amine?
The InChIKey is GFYOXDGOPMJGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-4-13-8-3-7(11)6(10)2-5(8)9(12)14-4/h2-3H,1H3,(H2,12,13,14).
What are the key properties of 6,7-dichloro-2-methylquinazolin-4-amine?
6,7-dichloro-2-methylquinazolin-4-amine has a molecular weight of 228.08 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylquinazolin-4-amine is sourced from PubChem (CID 122198309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).