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

C12H21ClFN7 — CID 141239706

IUPAC(3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
SMILESCN(C)[C@@H]1CN(c2nc(Cl)nc(NN)c2F)C[C@@H]1N(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)/t7-,8+
InChIKeySNDZWLNZMNARNY-OCAPTIKFSA-N
MW317.80 g/mol
LogP0.24
Rot. Bonds4

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

(3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine (PubChem CID 141239706) has the molecular formula C12H21ClFN7 and a molecular weight of 317.80 g/mol. Its IUPAC name is (3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine.

Molecular Properties

Compound Name(3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
PubChem CID141239706
Molecular FormulaC12H21ClFN7
Molecular Weight317.80 g/mol
Exact Mass317.15
IUPAC Name(3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine
SMILESCN(C)[C@@H]1CN(c2nc(Cl)nc(NN)c2F)C[C@@H]1N(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)/t7-,8+
InChIKeySNDZWLNZMNARNY-OCAPTIKFSA-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 (3R,4S)-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 (3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine (CID 141239706) is (3R,4S)-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 (3R,4S)-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 (3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine is CN(C)[C@@H]1CN(c2nc(Cl)nc(NN)c2F)C[C@@H]1N(C)C.
What is the InChIKey of (3R,4S)-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-OCAPTIKFSA-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)/t7-,8+.
What are the key properties of (3R,4S)-1-(2-chloro-5-fluoro-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-N,4-N-tetramethylpyrrolidine-3,4-diamine?
(3R,4S)-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 (3R,4S)-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 141239706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).