N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine

C12H10BrCl2N3 — CID 81275227

IUPACN-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H10BrCl2N3/c1-2-8-11(15)16-6-17-12(8)18-10-5-7(14)3-4-9(10)13/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeySLNOZWOQZYUQSH-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.85
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine

N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine (PubChem CID 81275227) has the molecular formula C12H10BrCl2N3 and a molecular weight of 347.04 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
PubChem CID81275227
Molecular FormulaC12H10BrCl2N3
Molecular Weight347.04 g/mol
Exact Mass344.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H10BrCl2N3/c1-2-8-11(15)16-6-17-12(8)18-10-5-7(14)3-4-9(10)13/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeySLNOZWOQZYUQSH-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107794917
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine (CID 81275227) is N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The InChIKey is SLNOZWOQZYUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3/c1-2-8-11(15)16-6-17-12(8)18-10-5-7(14)3-4-9(10)13/h3-6H,2H2,1H3,(H,16,17,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine has a molecular weight of 347.04 g/mol, XLogP of 4.85, 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-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 81275227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).