[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C17H20BrN3 — CID 103083994

IUPAC[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1cc(Br)ccc1-c1nc(C)c2c(n1)CCC(CN)C2
InChIInChI=1S/C17H20BrN3/c1-10-7-13(18)4-5-14(10)17-20-11(2)15-8-12(9-19)3-6-16(15)21-17/h4-5,7,12H,3,6,8-9,19H2,1-2H3
InChIKeyZNLZVCFDFIIIRI-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.59
Rot. Bonds2

About [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 103083994) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID103083994
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1cc(Br)ccc1-c1nc(C)c2c(n1)CCC(CN)C2
InChIInChI=1S/C17H20BrN3/c1-10-7-13(18)4-5-14(10)17-20-11(2)15-8-12(9-19)3-6-16(15)21-17/h4-5,7,12H,3,6,8-9,19H2,1-2H3
InChIKeyZNLZVCFDFIIIRI-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107924337
[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878860
[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107504552
[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81426125
[2-(3-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424855
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 115531306
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425784
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103083752
N-methyl-1-[4-methyl-2-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 114878861
[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424457
1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 81424302

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 103083994) is [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1cc(Br)ccc1-c1nc(C)c2c(n1)CCC(CN)C2.
What is the InChIKey of [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is ZNLZVCFDFIIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-10-7-13(18)4-5-14(10)17-20-11(2)15-8-12(9-19)3-6-16(15)21-17/h4-5,7,12H,3,6,8-9,19H2,1-2H3.
What are the key properties of [2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(4-bromo-2-methylphenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 346.27 g/mol, XLogP of 3.59, 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)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 103083994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).