6-bromo-N-propan-2-ylquinazolin-4-amine

C11H12BrN3 — CID 728950

IUPAC6-bromo-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C11H12BrN3/c1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyCZZPGAMGPKBBPA-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.21
Rot. Bonds2

About 6-bromo-N-propan-2-ylquinazolin-4-amine

6-bromo-N-propan-2-ylquinazolin-4-amine (PubChem CID 728950) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 6-bromo-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-propan-2-ylquinazolin-4-amine
PubChem CID728950
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name6-bromo-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C11H12BrN3/c1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyCZZPGAMGPKBBPA-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-propan-2-ylquinazolin-4-amine (CID 728950) is 6-bromo-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-propan-2-ylquinazolin-4-amine?
The InChIKey is CZZPGAMGPKBBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7(2)15-11-9-5-8(12)3-4-10(9)13-6-14-11/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 6-bromo-N-propan-2-ylquinazolin-4-amine?
6-bromo-N-propan-2-ylquinazolin-4-amine has a molecular weight of 266.14 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 728950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).