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

C9H13BrClN5 — CID 3046309

IUPAC5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc(Cl)c2Br)CC1
InChIInChI=1S/C9H13BrClN5/c1-15-2-4-16(5-3-15)8-6(10)7(11)13-9(12)14-8/h2-5H2,1H3,(H2,12,13,14)
InChIKeyPKHTXFLSLWMUGZ-UHFFFAOYSA-N
MW306.60 g/mol
LogP1.23
Rot. Bonds1

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

5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 3046309) has the molecular formula C9H13BrClN5 and a molecular weight of 306.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID3046309
Molecular FormulaC9H13BrClN5
Molecular Weight306.60 g/mol
Exact Mass305.00
IUPAC Name5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc(Cl)c2Br)CC1
InChIInChI=1S/C9H13BrClN5/c1-15-2-4-16(5-3-15)8-6(10)7(11)13-9(12)14-8/h2-5H2,1H3,(H2,12,13,14)
InChIKeyPKHTXFLSLWMUGZ-UHFFFAOYSA-N
XLogP1.23
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 91939
2-Pyrimidinamine, 5-bromo-4-chloro-N-methyl-6-(4-methyl-1-piperazinyl)-
CID 3046303
RP 55462
CID 128094
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 1085197
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
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
6-Chloro-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
CID 13151103
5,6-Dichloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13636855
5-bromo-6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13636872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 3046309) is 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2nc(N)nc(Cl)c2Br)CC1.
What is the InChIKey of 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is PKHTXFLSLWMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN5/c1-15-2-4-16(5-3-15)8-6(10)7(11)13-9(12)14-8/h2-5H2,1H3,(H2,12,13,14).
What are the key properties of 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 306.60 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 3046309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).