6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine

C17H16BrFN4 — CID 58499078

IUPAC6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
SMILESCN(C)Cc1ccc(Nc2ncc3c(F)c(Br)ccc3n2)cc1
InChIInChI=1S/C17H16BrFN4/c1-23(2)10-11-3-5-12(6-4-11)21-17-20-9-13-15(22-17)8-7-14(18)16(13)19/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyYHTCDMWLTDCTPR-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.34
Rot. Bonds4

About 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine

6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine (PubChem CID 58499078) has the molecular formula C17H16BrFN4 and a molecular weight of 375.25 g/mol. Its IUPAC name is 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
PubChem CID58499078
Molecular FormulaC17H16BrFN4
Molecular Weight375.25 g/mol
Exact Mass374.05
IUPAC Name6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
SMILESCN(C)Cc1ccc(Nc2ncc3c(F)c(Br)ccc3n2)cc1
InChIInChI=1S/C17H16BrFN4/c1-23(2)10-11-3-5-12(6-4-11)21-17-20-9-13-15(22-17)8-7-14(18)16(13)19/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyYHTCDMWLTDCTPR-UHFFFAOYSA-N
XLogP4.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine?
The IUPAC name of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine (CID 58499078) is 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine?
The canonical SMILES for 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine is CN(C)Cc1ccc(Nc2ncc3c(F)c(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine?
The InChIKey is YHTCDMWLTDCTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4/c1-23(2)10-11-3-5-12(6-4-11)21-17-20-9-13-15(22-17)8-7-14(18)16(13)19/h3-9H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine?
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine has a molecular weight of 375.25 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine is sourced from PubChem (CID 58499078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).