[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine

C9H12ClF2N5 — CID 141303962

IUPAC[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cl)nc(N2CCC[C@@H]2CF)c1F
InChIInChI=1S/C9H12ClF2N5/c10-9-14-7(16-13)6(12)8(15-9)17-3-1-2-5(17)4-11/h5H,1-4,13H2,(H,14,15,16)/t5-/m1/s1
InChIKeyYDLQEQATQKESPL-RXMQYKEDSA-N
MW263.68 g/mol
LogP1.49
Rot. Bonds3

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

[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 141303962) has the molecular formula C9H12ClF2N5 and a molecular weight of 263.68 g/mol. Its IUPAC name is [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID141303962
Molecular FormulaC9H12ClF2N5
Molecular Weight263.68 g/mol
Exact Mass263.07
IUPAC Name[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cl)nc(N2CCC[C@@H]2CF)c1F
InChIInChI=1S/C9H12ClF2N5/c10-9-14-7(16-13)6(12)8(15-9)17-3-1-2-5(17)4-11/h5H,1-4,13H2,(H,14,15,16)/t5-/m1/s1
InChIKeyYDLQEQATQKESPL-RXMQYKEDSA-N
XLogP1.49
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine (CID 141303962) is [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine is NNc1nc(Cl)nc(N2CCC[C@@H]2CF)c1F.
What is the InChIKey of [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is YDLQEQATQKESPL-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12ClF2N5/c10-9-14-7(16-13)6(12)8(15-9)17-3-1-2-5(17)4-11/h5H,1-4,13H2,(H,14,15,16)/t5-/m1/s1.
What are the key properties of [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine?
[2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 263.68 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-fluoro-6-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 141303962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).