5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine

C11H14BrClN4 — CID 47053565

IUPAC5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine
SMILESC=C(Cl)CN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H14BrClN4/c1-9(13)8-16-2-4-17(5-3-16)11-14-6-10(12)7-15-11/h6-7H,1-5,8H2
InChIKeyNVKOCEWBUZHTHH-UHFFFAOYSA-N
MW317.62 g/mol
LogP2.11
Rot. Bonds3

About 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine

5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine (PubChem CID 47053565) has the molecular formula C11H14BrClN4 and a molecular weight of 317.62 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine
PubChem CID47053565
Molecular FormulaC11H14BrClN4
Molecular Weight317.62 g/mol
Exact Mass316.01
IUPAC Name5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine
SMILESC=C(Cl)CN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C11H14BrClN4/c1-9(13)8-16-2-4-17(5-3-16)11-14-6-10(12)7-15-11/h6-7H,1-5,8H2
InChIKeyNVKOCEWBUZHTHH-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.62
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Bromo-2-chloropyrimidine
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5-Bromo-2-(piperidin-1-yl)pyrimidine
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5-Bromo-N,N-dimethylpyrimidin-2-amine
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5-Bromo-2-chloro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79072608
1-(5-Bromopyrimidin-2-yl)piperazine
CID 2757175
2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]ethanol
CID 2761037
5-Bromo-2-(pyrrolidin-1-yl)pyrimidine
CID 6622013
1-(5-Bromopyrimidin-2-yl)(1,4)diazepane
CID 2761040
5-Bromo-2-(chloromethyl)pyrimidine
CID 20557717
5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86277751
5-Bromopyrimidine-2-carboximidamide hydrochloride
CID 146636463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine (CID 47053565) is 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine is C=C(Cl)CN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine?
The InChIKey is NVKOCEWBUZHTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4/c1-9(13)8-16-2-4-17(5-3-16)11-14-6-10(12)7-15-11/h6-7H,1-5,8H2.
What are the key properties of 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine?
5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine has a molecular weight of 317.62 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 47053565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).