N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C17H22BrN5 — CID 112870794

IUPACN-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)cc2C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H22BrN5/c1-12-10-14(18)4-5-15(12)21-16-11-17(20-13(2)19-16)23-8-6-22(3)7-9-23/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyPHRYALXAHCOUNL-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.35
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112870794) has the molecular formula C17H22BrN5 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112870794
Molecular FormulaC17H22BrN5
Molecular Weight376.30 g/mol
Exact Mass375.11
IUPAC NameN-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)cc2C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H22BrN5/c1-12-10-14(18)4-5-15(12)21-16-11-17(20-13(2)19-16)23-8-6-22(3)7-9-23/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyPHRYALXAHCOUNL-UHFFFAOYSA-N
XLogP3.35
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870959
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80920057
2-methyl-6-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112870777
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-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
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
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193605

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 112870794) is N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(Nc2ccc(Br)cc2C)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is PHRYALXAHCOUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5/c1-12-10-14(18)4-5-15(12)21-16-11-17(20-13(2)19-16)23-8-6-22(3)7-9-23/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 376.30 g/mol, XLogP of 3.35, 3 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)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112870794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).