N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine

C18H24BrN5 — CID 112870959

IUPACN-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccc(Br)cc3C)nc(C)n2)CC1
InChIInChI=1S/C18H24BrN5/c1-4-23-7-9-24(10-8-23)18-12-17(20-14(3)21-18)22-16-6-5-15(19)11-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyWBYAJFKLFUYEFO-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.74
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine

N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112870959) has the molecular formula C18H24BrN5 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112870959
Molecular FormulaC18H24BrN5
Molecular Weight390.33 g/mol
Exact Mass389.12
IUPAC NameN-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCN1CCN(c2cc(Nc3ccc(Br)cc3C)nc(C)n2)CC1
InChIInChI=1S/C18H24BrN5/c1-4-23-7-9-24(10-8-23)18-12-17(20-14(3)21-18)22-16-6-5-15(19)11-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22)
InChIKeyWBYAJFKLFUYEFO-UHFFFAOYSA-N
XLogP3.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870794
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
N-(5-chloro-2-methoxyphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870920
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112870952
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80920057
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112874788
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870514

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine (CID 112870959) is N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine is CCN1CCN(c2cc(Nc3ccc(Br)cc3C)nc(C)n2)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is WBYAJFKLFUYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5/c1-4-23-7-9-24(10-8-23)18-12-17(20-14(3)21-18)22-16-6-5-15(19)11-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine?
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 390.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112870959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).