6-bromo-5-fluoro-N-methylquinazolin-2-amine

C9H7BrFN3 — CID 165349587

IUPAC6-bromo-5-fluoro-N-methylquinazolin-2-amine
SMILESCNc1ncc2c(F)c(Br)ccc2n1
InChIInChI=1S/C9H7BrFN3/c1-12-9-13-4-5-7(14-9)3-2-6(10)8(5)11/h2-4H,1H3,(H,12,13,14)
InChIKeyJCGASBDUBSJRSM-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.57
Rot. Bonds1

About 6-bromo-5-fluoro-N-methylquinazolin-2-amine

6-bromo-5-fluoro-N-methylquinazolin-2-amine (PubChem CID 165349587) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 6-bromo-5-fluoro-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-N-methylquinazolin-2-amine
PubChem CID165349587
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name6-bromo-5-fluoro-N-methylquinazolin-2-amine
SMILESCNc1ncc2c(F)c(Br)ccc2n1
InChIInChI=1S/C9H7BrFN3/c1-12-9-13-4-5-7(14-9)3-2-6(10)8(5)11/h2-4H,1H3,(H,12,13,14)
InChIKeyJCGASBDUBSJRSM-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
CID 58499078
7-bromo-N-methylquinazolin-2-amine
CID 118107797
5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
6-bromo-2-chloro-5-fluoro-3-methylquinoline
CID 177015936
4-N-(2-bromo-5-fluorophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107639327
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
6-bromo-5-fluoro-2-methylquinoxaline
CID 154727930
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
4-(2-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103013829
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80767185

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-N-methylquinazolin-2-amine?
The IUPAC name of 6-bromo-5-fluoro-N-methylquinazolin-2-amine (CID 165349587) is 6-bromo-5-fluoro-N-methylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-N-methylquinazolin-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-N-methylquinazolin-2-amine is CNc1ncc2c(F)c(Br)ccc2n1.
What is the InChIKey of 6-bromo-5-fluoro-N-methylquinazolin-2-amine?
The InChIKey is JCGASBDUBSJRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c1-12-9-13-4-5-7(14-9)3-2-6(10)8(5)11/h2-4H,1H3,(H,12,13,14).
What are the key properties of 6-bromo-5-fluoro-N-methylquinazolin-2-amine?
6-bromo-5-fluoro-N-methylquinazolin-2-amine has a molecular weight of 256.08 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-N-methylquinazolin-2-amine is sourced from PubChem (CID 165349587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).