2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine

C14H23BrN4 — CID 65010832

IUPAC2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine
SMILESCCCC(CBr)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23BrN4/c1-2-4-13(11-15)12-18-7-9-19(10-8-18)14-16-5-3-6-17-14/h3,5-6,13H,2,4,7-12H2,1H3
InChIKeyNKVLSZIKRVAVOH-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine

2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine (PubChem CID 65010832) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine
PubChem CID65010832
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine
SMILESCCCC(CBr)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23BrN4/c1-2-4-13(11-15)12-18-7-9-19(10-8-18)14-16-5-3-6-17-14/h3,5-6,13H,2,4,7-12H2,1H3
InChIKeyNKVLSZIKRVAVOH-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 65013150
1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
CID 65012847
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 173345063
2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
CID 45217191
1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 104744506
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505301
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine (CID 65010832) is 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine is CCCC(CBr)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine?
The InChIKey is NKVLSZIKRVAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-2-4-13(11-15)12-18-7-9-19(10-8-18)14-16-5-3-6-17-14/h3,5-6,13H,2,4,7-12H2,1H3.
What are the key properties of 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine?
2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine has a molecular weight of 327.27 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 65010832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).