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

C13H13BrClN3 — CID 55229482

IUPACN-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccc(C)cc1Br
InChIInChI=1S/C13H13BrClN3/c1-3-9-12(15)16-7-17-13(9)18-11-5-4-8(2)6-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyFANRMOHDZBSQIN-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.51
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine (PubChem CID 55229482) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
PubChem CID55229482
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccc(C)cc1Br
InChIInChI=1S/C13H13BrClN3/c1-3-9-12(15)16-7-17-13(9)18-11-5-4-8(2)6-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyFANRMOHDZBSQIN-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
CID 102806833

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine (CID 55229482) is N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The InChIKey is FANRMOHDZBSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-3-9-12(15)16-7-17-13(9)18-11-5-4-8(2)6-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine has a molecular weight of 326.63 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 55229482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).