2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine

C7H11ClFN5 — CID 86636922

IUPAC2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(Cl)nc(NN)c1F
InChIInChI=1S/C7H11ClFN5/c1-3(2)11-5-4(9)6(14-10)13-7(8)12-5/h3H,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyAQSPMGIMVBSVHI-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.38
Rot. Bonds3

About 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine

2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 86636922) has the molecular formula C7H11ClFN5 and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID86636922
Molecular FormulaC7H11ClFN5
Molecular Weight219.65 g/mol
Exact Mass219.07
IUPAC Name2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(Cl)nc(NN)c1F
InChIInChI=1S/C7H11ClFN5/c1-3(2)11-5-4(9)6(14-10)13-7(8)12-5/h3H,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyAQSPMGIMVBSVHI-UHFFFAOYSA-N
XLogP1.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.38
H-Bond Donors ≤ 53
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-hydrazinyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine (CID 86636922) is 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1nc(Cl)nc(NN)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is AQSPMGIMVBSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFN5/c1-3(2)11-5-4(9)6(14-10)13-7(8)12-5/h3H,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine?
2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 219.65 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-hydrazinyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 86636922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).