8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine

C10H9BrClN3 — CID 114693492

IUPAC8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(Cl)nc2c(Br)cccc12
InChIInChI=1S/C10H9BrClN3/c1-15(2)9-6-4-3-5-7(11)8(6)13-10(12)14-9/h3-5H,1-2H3
InChIKeyVGMWKAQXRURYST-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.11
Rot. Bonds1

About 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine

8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine (PubChem CID 114693492) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine
PubChem CID114693492
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(Cl)nc2c(Br)cccc12
InChIInChI=1S/C10H9BrClN3/c1-15(2)9-6-4-3-5-7(11)8(6)13-10(12)14-9/h3-5H,1-2H3
InChIKeyVGMWKAQXRURYST-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-2-chloro-N,N-dimethylquinazolin-4-amine
CID 114692808
8-bromo-2-chloro-N-methylquinazolin-4-amine
CID 114693495
8-bromo-N,N-dimethylquinazolin-4-amine
CID 110433416
8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693490
2,5,8-trichloro-N,N-dimethylquinazolin-4-amine
CID 107051785
8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
CID 172840400
3-chloro-N,N-dimethylisoquinolin-1-amine
CID 57431935
3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine
CID 82251255
8-bromo-2-chloroquinazolin-4-amine;8-bromo-2,4-dichloroquinazoline;oxolane
CID 159859261
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990
7-bromo-3-chloro-2-methylindazole
CID 68614934
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine (CID 114693492) is 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(Cl)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine?
The InChIKey is VGMWKAQXRURYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-15(2)9-6-4-3-5-7(11)8(6)13-10(12)14-9/h3-5H,1-2H3.
What are the key properties of 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine?
8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine has a molecular weight of 286.56 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 114693492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).