N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C17H22BrN5 — CID 112914058

IUPACN-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Br)c2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H22BrN5/c1-12-4-5-14(11-15(12)18)20-16-10-13(2)19-17(21-16)23-8-6-22(3)7-9-23/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyYGIQHHUBDDWKTO-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.35
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112914058) has the molecular formula C17H22BrN5 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112914058
Molecular FormulaC17H22BrN5
Molecular Weight376.30 g/mol
Exact Mass375.11
IUPAC NameN-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Br)c2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H22BrN5/c1-12-4-5-14(11-15(12)18)20-16-10-13(2)19-17(21-16)23-8-6-22(3)7-9-23/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyYGIQHHUBDDWKTO-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-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924034
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
4-[4-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914776
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923910
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910303
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924252

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 112914058) is N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(Nc2ccc(C)c(Br)c2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is YGIQHHUBDDWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5/c1-12-4-5-14(11-15(12)18)20-16-10-13(2)19-17(21-16)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-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(3-bromo-4-methylphenyl)-6-methyl-2-(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-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112914058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).