2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

C17H20BrN3 — CID 62009697

IUPAC2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccccc3Br)ncc21
InChIInChI=1S/C17H20BrN3/c1-17(2)8-14(19-3)12-10-20-16(21-15(12)9-17)11-6-4-5-7-13(11)18/h4-7,10,14,19H,8-9H2,1-3H3
InChIKeyUVFJMPGXCGYBRC-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.14
Rot. Bonds2

About 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62009697) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62009697
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccccc3Br)ncc21
InChIInChI=1S/C17H20BrN3/c1-17(2)8-14(19-3)12-10-20-16(21-15(12)9-17)11-6-4-5-7-13(11)18/h4-7,10,14,19H,8-9H2,1-3H3
InChIKeyUVFJMPGXCGYBRC-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 62009697) is 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(-c3ccccc3Br)ncc21.
What is the InChIKey of 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is UVFJMPGXCGYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-17(2)8-14(19-3)12-10-20-16(21-15(12)9-17)11-6-4-5-7-13(11)18/h4-7,10,14,19H,8-9H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 346.27 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62009697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).