[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine

C10H16ClFN6 — CID 141303963

IUPAC[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine
SMILESC[C@H]1CN(c2nc(Cl)nc(NN)c2F)CCN1C
InChIInChI=1S/C10H16ClFN6/c1-6-5-18(4-3-17(6)2)9-7(12)8(16-13)14-10(11)15-9/h6H,3-5,13H2,1-2H3,(H,14,15,16)/t6-/m0/s1
InChIKeyMSCHQECXELHQIV-LURJTMIESA-N
MW274.73 g/mol
LogP0.69
Rot. Bonds2

About [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine

[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine (PubChem CID 141303963) has the molecular formula C10H16ClFN6 and a molecular weight of 274.73 g/mol. Its IUPAC name is [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine
PubChem CID141303963
Molecular FormulaC10H16ClFN6
Molecular Weight274.73 g/mol
Exact Mass274.11
IUPAC Name[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine
SMILESC[C@H]1CN(c2nc(Cl)nc(NN)c2F)CCN1C
InChIInChI=1S/C10H16ClFN6/c1-6-5-18(4-3-17(6)2)9-7(12)8(16-13)14-10(11)15-9/h6H,3-5,13H2,1-2H3,(H,14,15,16)/t6-/m0/s1
InChIKeyMSCHQECXELHQIV-LURJTMIESA-N
XLogP0.69
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine?
The IUPAC name of [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine (CID 141303963) is [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine is C[C@H]1CN(c2nc(Cl)nc(NN)c2F)CCN1C.
What is the InChIKey of [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine?
The InChIKey is MSCHQECXELHQIV-LURJTMIESA-N. The full InChI is InChI=1S/C10H16ClFN6/c1-6-5-18(4-3-17(6)2)9-7(12)8(16-13)14-10(11)15-9/h6H,3-5,13H2,1-2H3,(H,14,15,16)/t6-/m0/s1.
What are the key properties of [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine?
[2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine has a molecular weight of 274.73 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 141303963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).