2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C14H14BrN3 — CID 62007896

IUPAC2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(-c3cccc(Br)c3)ncc21
InChIInChI=1S/C14H14BrN3/c15-10-4-1-3-9(7-10)14-17-8-11-12(16)5-2-6-13(11)18-14/h1,3-4,7-8,12H,2,5-6,16H2
InChIKeyYKUFXEKBAOAQOG-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.24
Rot. Bonds1

About 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62007896) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62007896
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(-c3cccc(Br)c3)ncc21
InChIInChI=1S/C14H14BrN3/c15-10-4-1-3-9(7-10)14-17-8-11-12(16)5-2-6-13(11)18-14/h1,3-4,7-8,12H,2,5-6,16H2
InChIKeyYKUFXEKBAOAQOG-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008088
2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861843
2-(3-bromophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 82489137
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008871
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384794
2-(3-chloro-4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384986
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007715
2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106792974
2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384948
3-(5-amino-5,6,7,8-tetrahydroquinolin-2-yl)phenol
CID 84702007
2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009283

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62007896) is 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(-c3cccc(Br)c3)ncc21.
What is the InChIKey of 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is YKUFXEKBAOAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-10-4-1-3-9(7-10)14-17-8-11-12(16)5-2-6-13(11)18-14/h1,3-4,7-8,12H,2,5-6,16H2.
What are the key properties of 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 304.19 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62007896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).