3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

C10H12ClFN6 — CID 141303977

IUPAC3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc(Cl)nc(NN)c1F)C1CC1
InChIInChI=1S/C10H12ClFN6/c11-10-15-8(17-14)7(12)9(16-10)18(5-1-4-13)6-2-3-6/h6H,1-3,5,14H2,(H,15,16,17)
InChIKeyIBWCVDRXQLUIAI-UHFFFAOYSA-N
MW270.70 g/mol
LogP1.44
Rot. Bonds5

About 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (PubChem CID 141303977) has the molecular formula C10H12ClFN6 and a molecular weight of 270.70 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
PubChem CID141303977
Molecular FormulaC10H12ClFN6
Molecular Weight270.70 g/mol
Exact Mass270.08
IUPAC Name3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1nc(Cl)nc(NN)c1F)C1CC1
InChIInChI=1S/C10H12ClFN6/c11-10-15-8(17-14)7(12)9(16-10)18(5-1-4-13)6-2-3-6/h6H,1-3,5,14H2,(H,15,16,17)
InChIKeyIBWCVDRXQLUIAI-UHFFFAOYSA-N
XLogP1.44
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 51.44
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 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (CID 141303977) is 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is N#CCCN(c1nc(Cl)nc(NN)c1F)C1CC1.
What is the InChIKey of 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The InChIKey is IBWCVDRXQLUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN6/c11-10-15-8(17-14)7(12)9(16-10)18(5-1-4-13)6-2-3-6/h6H,1-3,5,14H2,(H,15,16,17).
What are the key properties of 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile has a molecular weight of 270.70 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 141303977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).