8-bromo-2-(chloromethyl)quinazolin-4-amine

C9H7BrClN3 — CID 155601133

IUPAC8-bromo-2-(chloromethyl)quinazolin-4-amine
SMILESNc1nc(CCl)nc2c(Br)cccc12
InChIInChI=1S/C9H7BrClN3/c10-6-3-1-2-5-8(6)13-7(4-11)14-9(5)12/h1-3H,4H2,(H2,12,13,14)
InChIKeyFUDKPXIFBIBBDD-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.71
Rot. Bonds1

About 8-bromo-2-(chloromethyl)quinazolin-4-amine

8-bromo-2-(chloromethyl)quinazolin-4-amine (PubChem CID 155601133) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 8-bromo-2-(chloromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-(chloromethyl)quinazolin-4-amine
PubChem CID155601133
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name8-bromo-2-(chloromethyl)quinazolin-4-amine
SMILESNc1nc(CCl)nc2c(Br)cccc12
InChIInChI=1S/C9H7BrClN3/c10-6-3-1-2-5-8(6)13-7(4-11)14-9(5)12/h1-3H,4H2,(H2,12,13,14)
InChIKeyFUDKPXIFBIBBDD-UHFFFAOYSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-8-chloroquinazolin-4-amine
CID 105462502
2-(8-bromo-4-chloroquinazolin-2-yl)ethanamine
CID 84813864
8-bromo-2-chloroquinazolin-4-amine;8-bromo-2,4-dichloroquinazoline;oxolane
CID 159859261
8-bromo-4-(chloromethyl)-2-propan-2-ylquinoline
CID 82449036
8-bromo-6-chloro-2-ethylquinazolin-4-amine
CID 106583956
2,6-bis(chloromethyl)quinazolin-4-amine
CID 91333470
2-[(2-bromo-4,6-dimethoxyphenyl)methyl]-8-methylquinazolin-4-amine
CID 163213187
8-bromo-2-chloro-4-phenylquinoline
CID 43322933
7-bromo-2-(chloromethyl)-1-benzothiophen-3-amine
CID 130866068
7-bromo-3-chloro-2-methylindazole
CID 68614934
1-bromonaphthalene;methanamine
CID 143041720
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(chloromethyl)quinazolin-4-amine?
The IUPAC name of 8-bromo-2-(chloromethyl)quinazolin-4-amine (CID 155601133) is 8-bromo-2-(chloromethyl)quinazolin-4-amine.
What is the SMILES notation for 8-bromo-2-(chloromethyl)quinazolin-4-amine?
The canonical SMILES for 8-bromo-2-(chloromethyl)quinazolin-4-amine is Nc1nc(CCl)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-(chloromethyl)quinazolin-4-amine?
The InChIKey is FUDKPXIFBIBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-6-3-1-2-5-8(6)13-7(4-11)14-9(5)12/h1-3H,4H2,(H2,12,13,14).
What are the key properties of 8-bromo-2-(chloromethyl)quinazolin-4-amine?
8-bromo-2-(chloromethyl)quinazolin-4-amine has a molecular weight of 272.53 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(chloromethyl)quinazolin-4-amine is sourced from PubChem (CID 155601133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).