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

C16H18BrN3 — CID 103083752

IUPAC2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ccc(Br)cc2C)nc2c1CCCC2
InChIInChI=1S/C16H18BrN3/c1-10-9-11(17)7-8-12(10)16-19-14-6-4-3-5-13(14)15(18-2)20-16/h7-9H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyPNVRVHAULOUXCT-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.14
Rot. Bonds2

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

2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103083752) 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-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103083752
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ccc(Br)cc2C)nc2c1CCCC2
InChIInChI=1S/C16H18BrN3/c1-10-9-11(17)7-8-12(10)16-19-14-6-4-3-5-13(14)15(18-2)20-16/h7-9H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyPNVRVHAULOUXCT-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203821
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106793023
[2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62251116
2-(5-bromothiophen-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62202786
2-(2,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480845
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62391586
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103083722
2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843853
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103083752) is 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2ccc(Br)cc2C)nc2c1CCCC2.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is PNVRVHAULOUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-10-9-11(17)7-8-12(10)16-19-14-6-4-3-5-13(14)15(18-2)20-16/h7-9H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 332.25 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-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103083752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).