5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine

C10H15BrN4 — CID 23602265

IUPAC5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H15BrN4/c1-2-14-3-5-15(6-4-14)10-12-7-9(11)8-13-10/h7-8H,2-6H2,1H3
InChIKeyJMVPUQAKHMQWAF-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.38
Rot. Bonds2

About 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine

5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine (PubChem CID 23602265) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine
PubChem CID23602265
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H15BrN4/c1-2-14-3-5-15(6-4-14)10-12-7-9(11)8-13-10/h7-8H,2-6H2,1H3
InChIKeyJMVPUQAKHMQWAF-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromopyrimidine
CID 78344
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
2-Amino-5-bromopyrimidine
CID 231310
5-Bromo-2-chloropyrimidine
CID 606665
4-(5-Bromopyrimidin-2-yl)morpholine
CID 5144362
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
5-Bromo-2-(piperidin-1-yl)pyrimidine
CID 3614682
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-N-methylpyrimidin-2-amine
CID 13098184
5-Bromo-2-fluoropyrimidine
CID 600690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine (CID 23602265) is 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine is CCN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine?
The InChIKey is JMVPUQAKHMQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-2-14-3-5-15(6-4-14)10-12-7-9(11)8-13-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine?
5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine has a molecular weight of 271.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 23602265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).