[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine

C14H17ClN6 — CID 80909400

IUPAC[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCN(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C14H17ClN6/c15-11-2-1-3-12(8-11)20-4-6-21(7-5-20)14-9-13(19-16)17-10-18-14/h1-3,8-10H,4-7,16H2,(H,17,18,19)
InChIKeyLQPSOSMKGIOPFP-UHFFFAOYSA-N
MW304.79 g/mol
LogP1.74
Rot. Bonds3

About [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine

[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80909400) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80909400
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCN(c3cccc(Cl)c3)CC2)ncn1
InChIInChI=1S/C14H17ClN6/c15-11-2-1-3-12(8-11)20-4-6-21(7-5-20)14-9-13(19-16)17-10-18-14/h1-3,8-10H,4-7,16H2,(H,17,18,19)
InChIKeyLQPSOSMKGIOPFP-UHFFFAOYSA-N
XLogP1.74
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)pyrimidin-4-amine
CID 112863146
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112863144
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 112863132
[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80914226
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
1-(3-chlorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544025

Frequently Asked Questions

What is the IUPAC name of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine (CID 80909400) is [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine is NNc1cc(N2CCN(c3cccc(Cl)c3)CC2)ncn1.
What is the InChIKey of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is LQPSOSMKGIOPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-11-2-1-3-12(8-11)20-4-6-21(7-5-20)14-9-13(19-16)17-10-18-14/h1-3,8-10H,4-7,16H2,(H,17,18,19).
What are the key properties of [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine?
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 304.79 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80909400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).