8-bromo-5-methylquinazoline-2,4-diamine

C9H9BrN4 — CID 15152350

IUPAC8-bromo-5-methylquinazoline-2,4-diamine
SMILESCc1ccc(Br)c2nc(N)nc(N)c12
InChIInChI=1S/C9H9BrN4/c1-4-2-3-5(10)7-6(4)8(11)14-9(12)13-7/h2-3H,1H3,(H4,11,12,13,14)
InChIKeyXVQRKEZSSCGJRX-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.87
Rot. Bonds

About 8-bromo-5-methylquinazoline-2,4-diamine

8-bromo-5-methylquinazoline-2,4-diamine (PubChem CID 15152350) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 8-bromo-5-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name8-bromo-5-methylquinazoline-2,4-diamine
PubChem CID15152350
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name8-bromo-5-methylquinazoline-2,4-diamine
SMILESCc1ccc(Br)c2nc(N)nc(N)c12
InChIInChI=1S/C9H9BrN4/c1-4-2-3-5(10)7-6(4)8(11)14-9(12)13-7/h2-3H,1H3,(H4,11,12,13,14)
InChIKeyXVQRKEZSSCGJRX-UHFFFAOYSA-N
XLogP1.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-4-chloro-2,5-dimethylquinazoline
CID 134691884
4-bromo-1-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 82759210
5,6-dimethylquinazoline-2,4-diamine
CID 15152355
8-bromo-5-fluoro-2,4-dimethylquinoline
CID 46236379
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
8-bromo-4-chloro-2-ethyl-5-methylquinoline
CID 82766813
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 69076409
8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
CID 82766418
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908
(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine
CID 82758079
5-bromo-2-methylquinazolin-4-amine
CID 133060351

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methylquinazoline-2,4-diamine?
The IUPAC name of 8-bromo-5-methylquinazoline-2,4-diamine (CID 15152350) is 8-bromo-5-methylquinazoline-2,4-diamine.
What is the SMILES notation for 8-bromo-5-methylquinazoline-2,4-diamine?
The canonical SMILES for 8-bromo-5-methylquinazoline-2,4-diamine is Cc1ccc(Br)c2nc(N)nc(N)c12.
What is the InChIKey of 8-bromo-5-methylquinazoline-2,4-diamine?
The InChIKey is XVQRKEZSSCGJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-4-2-3-5(10)7-6(4)8(11)14-9(12)13-7/h2-3H,1H3,(H4,11,12,13,14).
What are the key properties of 8-bromo-5-methylquinazoline-2,4-diamine?
8-bromo-5-methylquinazoline-2,4-diamine has a molecular weight of 253.10 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methylquinazoline-2,4-diamine is sourced from PubChem (CID 15152350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).