2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride

C10H13ClN4O — CID 39255813

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
SMILESO=C(Cl)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13ClN4O/c11-9(16)8-14-4-6-15(7-5-14)10-12-2-1-3-13-10/h1-3H,4-8H2
InChIKeyWNWFNXDMVZWMFE-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.36
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride

2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride (PubChem CID 39255813) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
PubChem CID39255813
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
SMILESO=C(Cl)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13ClN4O/c11-9(16)8-14-4-6-15(7-5-14)10-12-2-1-3-13-10/h1-3H,4-8H2
InChIKeyWNWFNXDMVZWMFE-UHFFFAOYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 82071196
1-(5-chlorothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 43228277
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792
1-(4-phenylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 15950997
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride (CID 39255813) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride is O=C(Cl)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride?
The InChIKey is WNWFNXDMVZWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-9(16)8-14-4-6-15(7-5-14)10-12-2-1-3-13-10/h1-3H,4-8H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride?
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride has a molecular weight of 240.69 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride is sourced from PubChem (CID 39255813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).