N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine

C12H7BrClF4N3 — CID 106193620

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(Br)c(CNc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C12H7BrClF4N3/c13-8-2-1-7(15)3-6(8)5-19-10-4-9(12(16,17)18)20-11(14)21-10/h1-4H,5H2,(H,19,20,21)
InChIKeyNTDUWAQKZPOJKW-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.66
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106193620) has the molecular formula C12H7BrClF4N3 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106193620
Molecular FormulaC12H7BrClF4N3
Molecular Weight384.56 g/mol
Exact Mass382.94
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(Br)c(CNc2cc(C(F)(F)F)nc(Cl)n2)c1
InChIInChI=1S/C12H7BrClF4N3/c13-8-2-1-7(15)3-6(8)5-19-10-4-9(12(16,17)18)20-11(14)21-10/h1-4H,5H2,(H,19,20,21)
InChIKeyNTDUWAQKZPOJKW-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28545060
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114156673
[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
CID 106197136
2-chloro-N-(4-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649814
N-[(2-bromo-5-fluorophenyl)methyl]-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 106193585
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106193592
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562843

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (CID 106193620) is N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is Fc1ccc(Br)c(CNc2cc(C(F)(F)F)nc(Cl)n2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NTDUWAQKZPOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF4N3/c13-8-2-1-7(15)3-6(8)5-19-10-4-9(12(16,17)18)20-11(14)21-10/h1-4H,5H2,(H,19,20,21).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 384.56 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).