N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine

C12H11BrClN3 — CID 63735452

IUPACN-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cccc(Br)c1
InChIInChI=1S/C12H11BrClN3/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyAJPFSIOUOFOWEI-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.20
Rot. Bonds3

About N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine

N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine (PubChem CID 63735452) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
PubChem CID63735452
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC NameN-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cccc(Br)c1
InChIInChI=1S/C12H11BrClN3/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyAJPFSIOUOFOWEI-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
ethyl 2-[4-(3-bromoanilino)-6-chloropyrimidin-5-yl]acetate
CID 142331256
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63735080
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine (CID 63735452) is N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The InChIKey is AJPFSIOUOFOWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-2-10-11(14)15-7-16-12(10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine?
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 63735452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).