5-bromo-2-methylquinazolin-4-amine

C9H8BrN3 — CID 133060351

IUPAC5-bromo-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2c(Br)cccc2n1
InChIInChI=1S/C9H8BrN3/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyJDKNBBNKCOKIIG-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.28
Rot. Bonds

About 5-bromo-2-methylquinazolin-4-amine

5-bromo-2-methylquinazolin-4-amine (PubChem CID 133060351) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 5-bromo-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methylquinazolin-4-amine
PubChem CID133060351
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name5-bromo-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2c(Br)cccc2n1
InChIInChI=1S/C9H8BrN3/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyJDKNBBNKCOKIIG-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylquinazolin-4-amine?
The IUPAC name of 5-bromo-2-methylquinazolin-4-amine (CID 133060351) is 5-bromo-2-methylquinazolin-4-amine.
What is the SMILES notation for 5-bromo-2-methylquinazolin-4-amine?
The canonical SMILES for 5-bromo-2-methylquinazolin-4-amine is Cc1nc(N)c2c(Br)cccc2n1.
What is the InChIKey of 5-bromo-2-methylquinazolin-4-amine?
The InChIKey is JDKNBBNKCOKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-bromo-2-methylquinazolin-4-amine?
5-bromo-2-methylquinazolin-4-amine has a molecular weight of 238.09 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylquinazolin-4-amine is sourced from PubChem (CID 133060351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).