6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

C12H10Br2FN3 — CID 106193594

IUPAC6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H10Br2FN3/c1-7-17-11(14)5-12(18-7)16-6-8-4-9(15)2-3-10(8)13/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyYKPVYPRXSDCWGB-UHFFFAOYSA-N
MW375.04 g/mol
LogP4.06
Rot. Bonds3

About 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine

6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 106193594) has the molecular formula C12H10Br2FN3 and a molecular weight of 375.04 g/mol. Its IUPAC name is 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID106193594
Molecular FormulaC12H10Br2FN3
Molecular Weight375.04 g/mol
Exact Mass372.92
IUPAC Name6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Br)cc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H10Br2FN3/c1-7-17-11(14)5-12(18-7)16-6-8-4-9(15)2-3-10(8)13/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyYKPVYPRXSDCWGB-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.04
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-5-fluorophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974427
N-[(2-bromo-5-fluorophenyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115354999
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 106193620
N-[(2-bromo-5-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240558
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193591
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 106014088
N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 55154443

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine (CID 106193594) is 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(Br)cc(NCc2cc(F)ccc2Br)n1.
What is the InChIKey of 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is YKPVYPRXSDCWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FN3/c1-7-17-11(14)5-12(18-7)16-6-8-4-9(15)2-3-10(8)13/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine?
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 375.04 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106193594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).