4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine

C11H17BrN4O — CID 80673097

IUPAC4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCN(CCBr)CC2)ncn1
InChIInChI=1S/C11H17BrN4O/c1-17-11-8-10(13-9-14-11)16-6-4-15(3-2-12)5-7-16/h8-9H,2-7H2,1H3
InChIKeyRGMDOOJAVMTQFA-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.00
Rot. Bonds4

About 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine

4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine (PubChem CID 80673097) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
PubChem CID80673097
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCN(CCBr)CC2)ncn1
InChIInChI=1S/C11H17BrN4O/c1-17-11-8-10(13-9-14-11)16-6-4-15(3-2-12)5-7-16/h8-9H,2-7H2,1H3
InChIKeyRGMDOOJAVMTQFA-UHFFFAOYSA-N
XLogP1.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
2-[2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163346191
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354487
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
CID 146079556
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66318068
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine (CID 80673097) is 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCN(CCBr)CC2)ncn1.
What is the InChIKey of 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine?
The InChIKey is RGMDOOJAVMTQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-17-11-8-10(13-9-14-11)16-6-4-15(3-2-12)5-7-16/h8-9H,2-7H2,1H3.
What are the key properties of 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine?
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine has a molecular weight of 301.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 80673097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).