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

C15H15BrFN3 — CID 107281363

IUPAC2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(-c3ccc(F)cc3Br)ncc21
InChIInChI=1S/C15H15BrFN3/c1-18-13-3-2-4-14-11(13)8-19-15(20-14)10-6-5-9(17)7-12(10)16/h5-8,13,18H,2-4H2,1H3
InChIKeyPYSHYYSLGYWTFC-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.64
Rot. Bonds2

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

2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 107281363) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID107281363
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(-c3ccc(F)cc3Br)ncc21
InChIInChI=1S/C15H15BrFN3/c1-18-13-3-2-4-14-11(13)8-19-15(20-14)10-6-5-9(17)7-12(10)16/h5-8,13,18H,2-4H2,1H3
InChIKeyPYSHYYSLGYWTFC-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103083722
2-(3-bromo-4-methylphenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107915386
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
4-[5-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,2-diol
CID 136889223
2-(5-bromothiophen-2-yl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385231
2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385197
2-[4-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 115525196
N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65197983
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009283
N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385131
N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385127

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 107281363) is 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is CNC1CCCc2nc(-c3ccc(F)cc3Br)ncc21.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is PYSHYYSLGYWTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c1-18-13-3-2-4-14-11(13)8-19-15(20-14)10-6-5-9(17)7-12(10)16/h5-8,13,18H,2-4H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 336.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 107281363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).