1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine

C12H21ClFN7 — CID 87210146

IUPAC1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
SMILESCN(C)C1CN(c2nc(Cl)nc(NN)c2F)CC1N(C)C
InChIInChI=1S/C12H21ClFN7/c1-19(2)7-5-21(6-8(7)20(3)4)11-9(14)10(18-15)16-12(13)17-11/h7-8H,5-6,15H2,1-4H3,(H,16,17,18)
InChIKeySNDZWLNZMNARNY-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.24
Rot. Bonds4

About 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine

1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine (PubChem CID 87210146) has the molecular formula C12H21ClFN7 and a molecular weight of 317.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
PubChem CID87210146
Molecular FormulaC12H21ClFN7
Molecular Weight317.80 g/mol
Exact Mass317.15
IUPAC Name1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
SMILESCN(C)C1CN(c2nc(Cl)nc(NN)c2F)CC1N(C)C
InChIInChI=1S/C12H21ClFN7/c1-19(2)7-5-21(6-8(7)20(3)4)11-9(14)10(18-15)16-12(13)17-11/h7-8H,5-6,15H2,1-4H3,(H,16,17,18)
InChIKeySNDZWLNZMNARNY-UHFFFAOYSA-N
XLogP0.24
TPSA73.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine?
The IUPAC name of 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine (CID 87210146) is 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine?
The canonical SMILES for 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine is CN(C)C1CN(c2nc(Cl)nc(NN)c2F)CC1N(C)C.
What is the InChIKey of 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine?
The InChIKey is SNDZWLNZMNARNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClFN7/c1-19(2)7-5-21(6-8(7)20(3)4)11-9(14)10(18-15)16-12(13)17-11/h7-8H,5-6,15H2,1-4H3,(H,16,17,18).
What are the key properties of 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine?
1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine has a molecular weight of 317.80 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine is sourced from PubChem (CID 87210146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).