3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine

C12H18ClFN4 — CID 139405504

IUPAC3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine
SMILESCCN1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1
InChIInChI=1S/C12H18ClFN4/c1-3-17-4-5-18(8(2)7-17)10-6-9(15)11(13)12(14)16-10/h6,8H,3-5,7H2,1-2H3,(H2,15,16)/t8-/m0/s1
InChIKeyZHBQCAJCVSEVSB-QMMMGPOBSA-N
MW272.75 g/mol
LogP1.99
Rot. Bonds2

About 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine

3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine (PubChem CID 139405504) has the molecular formula C12H18ClFN4 and a molecular weight of 272.75 g/mol. Its IUPAC name is 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine.

Molecular Properties

Compound Name3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine
PubChem CID139405504
Molecular FormulaC12H18ClFN4
Molecular Weight272.75 g/mol
Exact Mass272.12
IUPAC Name3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine
SMILESCCN1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1
InChIInChI=1S/C12H18ClFN4/c1-3-17-4-5-18(8(2)7-17)10-6-9(15)11(13)12(14)16-10/h6,8H,3-5,7H2,1-2H3,(H2,15,16)/t8-/m0/s1
InChIKeyZHBQCAJCVSEVSB-QMMMGPOBSA-N
XLogP1.99
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine 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

3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
CID 139391098
3-chloro-2-fluoro-6-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-amine
CID 139405533
5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
CID 139391140
5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine
CID 139391079
[3-chloro-6-(2,4-dimethylpiperazin-1-yl)-2-fluoro-4-pyridinyl]carbamic acid
CID 155227649
1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine
CID 155227612
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
CID 153382151
5-chloro-2-[2-methyl-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]pyridin-4-amine
CID 155211726
4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133460996
1-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 171999652
1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine?
The IUPAC name of 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine (CID 139405504) is 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine.
What is the SMILES notation for 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine?
The canonical SMILES for 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine is CCN1CCN(c2cc(N)c(Cl)c(F)n2)[C@@H](C)C1.
What is the InChIKey of 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine?
The InChIKey is ZHBQCAJCVSEVSB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18ClFN4/c1-3-17-4-5-18(8(2)7-17)10-6-9(15)11(13)12(14)16-10/h6,8H,3-5,7H2,1-2H3,(H2,15,16)/t8-/m0/s1.
What are the key properties of 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine?
3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine has a molecular weight of 272.75 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine is sourced from PubChem (CID 139405504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).