[4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine

C9H14ClFN6 — CID 87210141

IUPAC[4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCN1CCN(c2nc(NN)nc(Cl)c2F)CC1
InChIInChI=1S/C9H14ClFN6/c1-16-2-4-17(5-3-16)8-6(11)7(10)13-9(14-8)15-12/h2-5,12H2,1H3,(H,13,14,15)
InChIKeyQRXRJUILQOQYHR-UHFFFAOYSA-N
MW260.70 g/mol
LogP0.31
Rot. Bonds2

About [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine

[4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 87210141) has the molecular formula C9H14ClFN6 and a molecular weight of 260.70 g/mol. Its IUPAC name is [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID87210141
Molecular FormulaC9H14ClFN6
Molecular Weight260.70 g/mol
Exact Mass260.10
IUPAC Name[4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCN1CCN(c2nc(NN)nc(Cl)c2F)CC1
InChIInChI=1S/C9H14ClFN6/c1-16-2-4-17(5-3-16)8-6(11)7(10)13-9(14-8)15-12/h2-5,12H2,1H3,(H,13,14,15)
InChIKeyQRXRJUILQOQYHR-UHFFFAOYSA-N
XLogP0.31
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.31
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

5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 360769
5,6-dichloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13151084
5,6-Dichloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13636855
4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567736
4,5-dichloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567740
2-Pyrimidinamine, 5-bromo-4-chloro-6-(4-methyl-1-piperazinyl)-
CID 3046309
4-[(2S)-2,4-dimethyl-1-piperazinyl]-5-fluoro-6-hydrazino-2-methylpyrimidine
CID 66935927
2-Ethyl-5-fluoro-4-hydrazino-6-(4-methyl-1-piperazinyl)pyrimidine
CID 66935975
4-[(2R)-2,4-dimethyl-1-piperazinyl]-5-fluoro-6-hydrazino-2-methylpyrimidine
CID 66936055
2-(Difluoromethyl)-5-fluoro-4-hydrazino-6-(4-methyl-1-piperazinyl)pyrimidine
CID 66936083
4-[(3R)-3,4-dimethyl-1-piperazinyl]-5-fluoro-6-hydrazino-2-methylpyrimidine
CID 66936099
4-[(3S)-3,4-dimethyl-1-piperazinyl]-5-fluoro-6-hydrazino-2-methylpyrimidine
CID 66936103

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine (CID 87210141) is [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine is CN1CCN(c2nc(NN)nc(Cl)c2F)CC1.
What is the InChIKey of [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is QRXRJUILQOQYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClFN6/c1-16-2-4-17(5-3-16)8-6(11)7(10)13-9(14-8)15-12/h2-5,12H2,1H3,(H,13,14,15).
What are the key properties of [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine?
[4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 260.70 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 87210141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).