6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine

C15H13BrN4O2 — CID 21114586

IUPAC6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine
SMILESCOc1cc2ncnc(-c3nc(Br)ccc3N)c2cc1OC
InChIInChI=1S/C15H13BrN4O2/c1-21-11-5-8-10(6-12(11)22-2)18-7-19-14(8)15-9(17)3-4-13(16)20-15/h3-7H,17H2,1-2H3
InChIKeyMLMSWIYRHZODSK-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.05
Rot. Bonds3

About 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine

6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine (PubChem CID 21114586) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine
PubChem CID21114586
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine
SMILESCOc1cc2ncnc(-c3nc(Br)ccc3N)c2cc1OC
InChIInChI=1S/C15H13BrN4O2/c1-21-11-5-8-10(6-12(11)22-2)18-7-19-14(8)15-9(17)3-4-13(16)20-15/h3-7H,17H2,1-2H3
InChIKeyMLMSWIYRHZODSK-UHFFFAOYSA-N
XLogP3.05
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6,7-dimethoxyquinazolin-4-yl)-4-ethynylaniline
CID 139771354
6,7-dimethoxy-4-methylquinazoline
CID 4319422
6-methoxyquinazoline-4,7-diamine
CID 142061671
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467
(E)-3-amino-3-[4-(aminomethyl)phenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)phenyl]prop-2-enoic acid;hydrochloride
CID 175258585
2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
CID 69325622
4-(3-bromophenyl)-6,7-diethoxyquinazoline
CID 22663169
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
[5-(6,7-dimethoxyquinazolin-4-yl)-2-pyridinyl]methylphosphonous acid
CID 163399431
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
methane;4,6,7-trimethoxyquinoline
CID 157066291

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine?
The IUPAC name of 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine (CID 21114586) is 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine is COc1cc2ncnc(-c3nc(Br)ccc3N)c2cc1OC.
What is the InChIKey of 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine?
The InChIKey is MLMSWIYRHZODSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-21-11-5-8-10(6-12(11)22-2)18-7-19-14(8)15-9(17)3-4-13(16)20-15/h3-7H,17H2,1-2H3.
What are the key properties of 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine?
6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine has a molecular weight of 361.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(6,7-dimethoxyquinazolin-4-yl)pyridin-3-amine is sourced from PubChem (CID 21114586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).