2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C16H18BrN3 — CID 114330940

IUPAC2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1cc(-c2nc(N)c3c(n2)CCCC3)cc(C)c1Br
InChIInChI=1S/C16H18BrN3/c1-9-7-11(8-10(2)14(9)17)16-19-13-6-4-3-5-12(13)15(18)20-16/h7-8H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyKGOXVGJMWWVCPE-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.98
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 114330940) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID114330940
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1cc(-c2nc(N)c3c(n2)CCCC3)cc(C)c1Br
InChIInChI=1S/C16H18BrN3/c1-9-7-11(8-10(2)14(9)17)16-19-13-6-4-3-5-12(13)15(18)20-16/h7-8H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyKGOXVGJMWWVCPE-UHFFFAOYSA-N
XLogP3.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-bromo-6-methoxyphenol
CID 135978623
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202448
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 114330977
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203690
2-(4-bromo-3,5-dimethylphenyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384711
2-(4,5-dibromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62202837
2-(2-methylquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105379360
7-bromo-6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107578671
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 114330940) is 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1cc(-c2nc(N)c3c(n2)CCCC3)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KGOXVGJMWWVCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-9-7-11(8-10(2)14(9)17)16-19-13-6-4-3-5-12(13)15(18)20-16/h7-8H,3-6H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 332.25 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 114330940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).