N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine

C26H41FI2N6O2 — CID 158649137

IUPACN-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)Nc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C13H20IN3O.C9H10FIN2O.C4H11N/c1-13(2,3)16-11-8-10(14)9-12(15-11)17-4-6-18-7-5-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(2,3)5/h8-9H,4-7H2,1-3H3,(H,15,16);5-6H,1-4H2;5H2,1-3H3
InChIKeyIBIHQVQOBHEWJY-UHFFFAOYSA-N
MW742.46 g/mol
LogP5.14
Rot. Bonds3

About N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine

N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine (PubChem CID 158649137) has the molecular formula C26H41FI2N6O2 and a molecular weight of 742.46 g/mol. Its IUPAC name is N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
PubChem CID158649137
Molecular FormulaC26H41FI2N6O2
Molecular Weight742.46 g/mol
Exact Mass742.14
IUPAC NameN-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
SMILESCC(C)(C)N.CC(C)(C)Nc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C13H20IN3O.C9H10FIN2O.C4H11N/c1-13(2,3)16-11-8-10(14)9-12(15-11)17-4-6-18-7-5-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(2,3)5/h8-9H,4-7H2,1-3H3,(H,15,16);5-6H,1-4H2;5H2,1-3H3
InChIKeyIBIHQVQOBHEWJY-UHFFFAOYSA-N
XLogP5.14
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.46
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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
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
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
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
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956
(2S)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-2-ol
CID 155160455
2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
CID 158517227
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
N,4-dimethyl-6-morpholin-4-ylpyridin-2-amine;ethane
CID 177153014
(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
CID 155160945

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine?
The IUPAC name of 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) is N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine.
What is the SMILES notation for N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine?
The canonical SMILES for N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine is CC(C)(C)N.CC(C)(C)Nc1cc(I)cc(N2CCOCC2)n1.Fc1cc(I)cc(N2CCOCC2)n1.
What is the InChIKey of N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine?
The InChIKey is IBIHQVQOBHEWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O.C9H10FIN2O.C4H11N/c1-13(2,3)16-11-8-10(14)9-12(15-11)17-4-6-18-7-5-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(2,3)5/h8-9H,4-7H2,1-3H3,(H,15,16);5-6H,1-4H2;5H2,1-3H3.
What are the key properties of N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine?
N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine has a molecular weight of 742.46 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine is sourced from PubChem (CID 158649137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).