(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine

C11H17FN4 — CID 144753108

IUPAC(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine
SMILES[H]/N=c1\ccc(F)cn1C(N)[C@@H]1CCCN1C
InChIInChI=1S/C11H17FN4/c1-15-6-2-3-9(15)11(14)16-7-8(12)4-5-10(16)13/h4-5,7,9,11,13H,2-3,6,14H2,1H3/b13-10+/t9-,11?/m0/s1
InChIKeyDUXVMOLNIRBLPB-ZLIHZWHKSA-N
MW224.28 g/mol
LogP0.66
Rot. Bonds2

About (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine

(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 144753108) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine
PubChem CID144753108
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine
SMILES[H]/N=c1\ccc(F)cn1C(N)[C@@H]1CCCN1C
InChIInChI=1S/C11H17FN4/c1-15-6-2-3-9(15)11(14)16-7-8(12)4-5-10(16)13/h4-5,7,9,11,13H,2-3,6,14H2,1H3/b13-10+/t9-,11?/m0/s1
InChIKeyDUXVMOLNIRBLPB-ZLIHZWHKSA-N
XLogP0.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-1-[(2R)-1-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 89624903
5-fluoro-1-[(2S)-1,4,4-trimethylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 89624967
5-Fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine
CID 123321148
5-Fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
CID 123505765
5-Fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine
CID 123539477
5-Fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
CID 123569173
1-[2-(1-Ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine
CID 123799578
5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 129302472
1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine
CID 142489736
(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]methanamine
CID 145588269
[(2S)-1-ethylpyrrolidin-2-yl]-(5-fluoro-2-imino-1-pyridinyl)methanamine
CID 145588366
5-fluoro-1-[(2S)-1-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 145588441

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine (CID 144753108) is (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine is [H]/N=c1\ccc(F)cn1C(N)[C@@H]1CCCN1C.
What is the InChIKey of (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The InChIKey is DUXVMOLNIRBLPB-ZLIHZWHKSA-N. The full InChI is InChI=1S/C11H17FN4/c1-15-6-2-3-9(15)11(14)16-7-8(12)4-5-10(16)13/h4-5,7,9,11,13H,2-3,6,14H2,1H3/b13-10+/t9-,11?/m0/s1.
What are the key properties of (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 144753108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).