2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

C16H18BrN3 — CID 103083722

IUPAC2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(-c3ccc(Br)cc3C)ncc21
InChIInChI=1S/C16H18BrN3/c1-10-8-11(17)6-7-12(10)16-19-9-13-14(18-2)4-3-5-15(13)20-16/h6-9,14,18H,3-5H2,1-2H3
InChIKeyVFHQDXJURWNLCJ-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.81
Rot. Bonds2

About 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 103083722) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID103083722
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(-c3ccc(Br)cc3C)ncc21
InChIInChI=1S/C16H18BrN3/c1-10-8-11(17)6-7-12(10)16-19-9-13-14(18-2)4-3-5-15(13)20-16/h6-9,14,18H,3-5H2,1-2H3
InChIKeyVFHQDXJURWNLCJ-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 103083722) is 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is CNC1CCCc2nc(-c3ccc(Br)cc3C)ncc21.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is VFHQDXJURWNLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-10-8-11(17)6-7-12(10)16-19-9-13-14(18-2)4-3-5-15(13)20-16/h6-9,14,18H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 332.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 103083722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).