2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol

C17H22FN3O2 — CID 154951860

IUPAC2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)cc(-c2ccc(N)c(C(C)(C)O)n2)c1N
InChIInChI=1S/C17H22FN3O2/c1-16(2,22)11-8-9(18)7-10(14(11)20)13-6-5-12(19)15(21-13)17(3,4)23/h5-8,22-23H,19-20H2,1-4H3
InChIKeyMCPPABPOMQKDLU-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.51
Rot. Bonds3

About 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol

2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol (PubChem CID 154951860) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol
PubChem CID154951860
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)cc(-c2ccc(N)c(C(C)(C)O)n2)c1N
InChIInChI=1S/C17H22FN3O2/c1-16(2,22)11-8-9(18)7-10(14(11)20)13-6-5-12(19)15(21-13)17(3,4)23/h5-8,22-23H,19-20H2,1-4H3
InChIKeyMCPPABPOMQKDLU-UHFFFAOYSA-N
XLogP2.51
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol (CID 154951860) is 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol is CC(C)(O)c1cc(F)cc(-c2ccc(N)c(C(C)(C)O)n2)c1N.
What is the InChIKey of 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol?
The InChIKey is MCPPABPOMQKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-16(2,22)11-8-9(18)7-10(14(11)20)13-6-5-12(19)15(21-13)17(3,4)23/h5-8,22-23H,19-20H2,1-4H3.
What are the key properties of 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol?
2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol has a molecular weight of 319.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-fluorophenyl]propan-2-ol is sourced from PubChem (CID 154951860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).