4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane

C26H43FI2N6O4S — CID 157234853

IUPAC4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
SMILESCO[C@@H](C)CN.CO[C@@H](C)CNc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.S
InChIInChI=1S/C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-10(18-2)9-15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(3-5)6-2;/h7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3;1H2/t10-;;4-;/m0.0./s1
InChIKeyAUMZTQPLZBZHSC-WMQVPCAOSA-N
MW808.54 g/mol
LogP3.72
Rot. Bonds8

About 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane

4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane (PubChem CID 157234853) has the molecular formula C26H43FI2N6O4S and a molecular weight of 808.54 g/mol. Its IUPAC name is 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane.

Molecular Properties

Compound Name4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
PubChem CID157234853
Molecular FormulaC26H43FI2N6O4S
Molecular Weight808.54 g/mol
Exact Mass808.11
IUPAC Name4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
SMILESCO[C@@H](C)CN.CO[C@@H](C)CNc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.S
InChIInChI=1S/C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-10(18-2)9-15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(3-5)6-2;/h7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3;1H2/t10-;;4-;/m0.0./s1
InChIKeyAUMZTQPLZBZHSC-WMQVPCAOSA-N
XLogP3.72
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500808.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane 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

N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
CID 158649137
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035
4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
CID 159954649
(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
CID 155160945
(2S)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-2-ol
CID 155160455
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine
CID 164996210
6-morpholin-4-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80956097
N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282484
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
The IUPAC name of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane (CID 157234853) is 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane.
What is the SMILES notation for 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
The canonical SMILES for 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane is CO[C@@H](C)CN.CO[C@@H](C)CNc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.S.
What is the InChIKey of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
The InChIKey is AUMZTQPLZBZHSC-WMQVPCAOSA-N. The full InChI is InChI=1S/C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-10(18-2)9-15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(3-5)6-2;/h7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3;1H2/t10-;;4-;/m0.0./s1.
What are the key properties of 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane?
4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane has a molecular weight of 808.54 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane is sourced from PubChem (CID 157234853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).