1,4-dihydroquinazolin-2-amine;hydrobromide

C8H10BrN3 — CID 45263885

IUPAC1,4-dihydroquinazolin-2-amine;hydrobromide
SMILESBr.NC1=NCc2ccccc2N1
InChIInChI=1S/C8H9N3.BrH/c9-8-10-5-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H3,9,10,11);1H
InChIKeyRXCXYMVUYRKQAO-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.50
Rot. Bonds

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

1,4-dihydroquinazolin-2-amine;hydrobromide (PubChem CID 45263885) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 1,4-dihydroquinazolin-2-amine;hydrobromide.

Molecular Properties

Compound Name1,4-dihydroquinazolin-2-amine;hydrobromide
PubChem CID45263885
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name1,4-dihydroquinazolin-2-amine;hydrobromide
SMILESBr.NC1=NCc2ccccc2N1
InChIInChI=1S/C8H9N3.BrH/c9-8-10-5-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H3,9,10,11);1H
InChIKeyRXCXYMVUYRKQAO-UHFFFAOYSA-N
XLogP1.50
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinazolin-2-amine;hydrobromide?
The IUPAC name of 1,4-dihydroquinazolin-2-amine;hydrobromide (CID 45263885) is 1,4-dihydroquinazolin-2-amine;hydrobromide.
What is the SMILES notation for 1,4-dihydroquinazolin-2-amine;hydrobromide?
The canonical SMILES for 1,4-dihydroquinazolin-2-amine;hydrobromide is Br.NC1=NCc2ccccc2N1.
What is the InChIKey of 1,4-dihydroquinazolin-2-amine;hydrobromide?
The InChIKey is RXCXYMVUYRKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.BrH/c9-8-10-5-6-3-1-2-4-7(6)11-8;/h1-4H,5H2,(H3,9,10,11);1H.
What are the key properties of 1,4-dihydroquinazolin-2-amine;hydrobromide?
1,4-dihydroquinazolin-2-amine;hydrobromide has a molecular weight of 228.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinazolin-2-amine;hydrobromide is sourced from PubChem (CID 45263885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).