[2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C15H15BrFN3 — CID 81424571

IUPAC[2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(-c3cc(F)cc(Br)c3)ncc2C1
InChIInChI=1S/C15H15BrFN3/c16-12-4-10(5-13(17)6-12)15-19-8-11-3-9(7-18)1-2-14(11)20-15/h4-6,8-9H,1-3,7,18H2
InChIKeyWFNZCCFCBQXRME-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.11
Rot. Bonds2

About [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81424571) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81424571
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name[2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(-c3cc(F)cc(Br)c3)ncc2C1
InChIInChI=1S/C15H15BrFN3/c16-12-4-10(5-13(17)6-12)15-19-8-11-3-9(7-18)1-2-14(11)20-15/h4-6,8-9H,1-3,7,18H2
InChIKeyWFNZCCFCBQXRME-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81424571) is [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is NCC1CCc2nc(-c3cc(F)cc(Br)c3)ncc2C1.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is WFNZCCFCBQXRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c16-12-4-10(5-13(17)6-12)15-19-8-11-3-9(7-18)1-2-14(11)20-15/h4-6,8-9H,1-3,7,18H2.
What are the key properties of [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 336.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81424571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).