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

C10H15BrClN5 — CID 3046303

IUPAC5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)c(Br)c(N2CCN(C)CC2)n1
InChIInChI=1S/C10H15BrClN5/c1-13-10-14-8(12)7(11)9(15-10)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyOYOSJFZROULYPV-UHFFFAOYSA-N
MW320.62 g/mol
LogP1.69
Rot. Bonds2

About 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 3046303) has the molecular formula C10H15BrClN5 and a molecular weight of 320.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID3046303
Molecular FormulaC10H15BrClN5
Molecular Weight320.62 g/mol
Exact Mass319.02
IUPAC Name5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)c(Br)c(N2CCN(C)CC2)n1
InChIInChI=1S/C10H15BrClN5/c1-13-10-14-8(12)7(11)9(15-10)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyOYOSJFZROULYPV-UHFFFAOYSA-N
XLogP1.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 68678
RP 55462
CID 128094
5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 360769
5-bromo-6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 3046305
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13151078
5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13151084
5,6-dichloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151086
6-chloro-5-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151093
5,6-Dichloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13636855
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
CID 13636863
5-bromo-6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13636872
5-bromo-6-chloro-N-cyclopentyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13636874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 3046303) is 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CNc1nc(Cl)c(Br)c(N2CCN(C)CC2)n1.
What is the InChIKey of 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is OYOSJFZROULYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN5/c1-13-10-14-8(12)7(11)9(15-10)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 320.62 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 3046303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).