N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine

C14H15BrClN3 — CID 107576834

IUPACN-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H15BrClN3/c1-4-11-13(16)17-7-18-14(11)19-10-5-8(2)12(15)9(3)6-10/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyQLVQNHGRUINTKS-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.82
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine

N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine (PubChem CID 107576834) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
PubChem CID107576834
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H15BrClN3/c1-4-11-13(16)17-7-18-14(11)19-10-5-8(2)12(15)9(3)6-10/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyQLVQNHGRUINTKS-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63735080
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine (CID 107576834) is N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
The InChIKey is QLVQNHGRUINTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-4-11-13(16)17-7-18-14(11)19-10-5-8(2)12(15)9(3)6-10/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine?
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 107576834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).