3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine

C13H20ClFN4O — CID 139391098

IUPAC3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
SMILESCOCCN1CCN(c2cc(N)c(Cl)c(F)n2)C(C)C1
InChIInChI=1S/C13H20ClFN4O/c1-9-8-18(5-6-20-2)3-4-19(9)11-7-10(16)12(14)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,16,17)
InChIKeyXEUJEURWKSTIDV-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.61
Rot. Bonds4

About 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine

3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine (PubChem CID 139391098) has the molecular formula C13H20ClFN4O and a molecular weight of 302.78 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
PubChem CID139391098
Molecular FormulaC13H20ClFN4O
Molecular Weight302.78 g/mol
Exact Mass302.13
IUPAC Name3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
SMILESCOCCN1CCN(c2cc(N)c(Cl)c(F)n2)C(C)C1
InChIInChI=1S/C13H20ClFN4O/c1-9-8-18(5-6-20-2)3-4-19(9)11-7-10(16)12(14)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,16,17)
InChIKeyXEUJEURWKSTIDV-UHFFFAOYSA-N
XLogP1.61
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 697260
N-(3-chlorophenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697262
1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide
CID 166326281
2-Chloro-6-piperidin-1-ylpyridin-4-amine
CID 54231451
5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine
CID 75377036
5-chloro-N-(4-chlorophenyl)-2-fluoro-6-morpholin-4-ylpyrimidin-4-amine
CID 21912459
4-[4-(2-chlorophenyl)piperazin-1-yl]-5-fluoro-N,N-dimethyl-6-morpholin-4-ylpyrimidin-2-amine
CID 44251242
4-(5-Chloro-6-fluoropyridin-2-yl)morpholine
CID 57475657
4-[4-(2-Chlorophenyl)piperazin-1-yl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 70960628
4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857652
2-Fluoro-6-morpholin-4-ylpyridin-3-amine
CID 118234472
1-(4-Chloro-3-fluoro-6-methyl-2-pyridinyl)-4-(oxetan-3-yl)piperazine
CID 134605497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
The IUPAC name of 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine (CID 139391098) is 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
The canonical SMILES for 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine is COCCN1CCN(c2cc(N)c(Cl)c(F)n2)C(C)C1.
What is the InChIKey of 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
The InChIKey is XEUJEURWKSTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN4O/c1-9-8-18(5-6-20-2)3-4-19(9)11-7-10(16)12(14)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,16,17).
What are the key properties of 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine has a molecular weight of 302.78 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine is sourced from PubChem (CID 139391098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).