5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide

C8H9BrClN3 — CID 45263888

IUPAC5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide
SMILESBr.NC1=NCc2c(Cl)cccc2N1
InChIInChI=1S/C8H8ClN3.BrH/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H
InChIKeyFCABRCNGLWVTLX-UHFFFAOYSA-N
MW262.54 g/mol
LogP2.16
Rot. Bonds

About 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide

5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide (PubChem CID 45263888) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide.

Molecular Properties

Compound Name5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide
PubChem CID45263888
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide
SMILESBr.NC1=NCc2c(Cl)cccc2N1
InChIInChI=1S/C8H8ClN3.BrH/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H
InChIKeyFCABRCNGLWVTLX-UHFFFAOYSA-N
XLogP2.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide?
The IUPAC name of 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide (CID 45263888) is 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide.
What is the SMILES notation for 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide?
The canonical SMILES for 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide is Br.NC1=NCc2c(Cl)cccc2N1.
What is the InChIKey of 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide?
The InChIKey is FCABRCNGLWVTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3.BrH/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H.
What are the key properties of 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide?
5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide has a molecular weight of 262.54 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-dihydroquinazolin-2-amine;hydrobromide is sourced from PubChem (CID 45263888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).