(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol

C15H17FN4O2 — CID 90213190

IUPAC(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol
SMILES[H]/N=C1/C(N)=CC(c2ccc(N3CCOCC3)c(F)c2)=N[C@@H]1O
InChIInChI=1S/C15H17FN4O2/c16-10-7-9(12-8-11(17)14(18)15(21)19-12)1-2-13(10)20-3-5-22-6-4-20/h1-2,7-8,15,18,21H,3-6,17H2/b18-14-/t15-/m1/s1
InChIKeyRPPVAFQBPLZUGB-SULWINFOSA-N
MW304.33 g/mol
LogP0.65
Rot. Bonds2

About (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol

(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol (PubChem CID 90213190) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol.

Molecular Properties

Compound Name(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol
PubChem CID90213190
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol
SMILES[H]/N=C1/C(N)=CC(c2ccc(N3CCOCC3)c(F)c2)=N[C@@H]1O
InChIInChI=1S/C15H17FN4O2/c16-10-7-9(12-8-11(17)14(18)15(21)19-12)1-2-13(10)20-3-5-22-6-4-20/h1-2,7-8,15,18,21H,3-6,17H2/b18-14-/t15-/m1/s1
InChIKeyRPPVAFQBPLZUGB-SULWINFOSA-N
XLogP0.65
TPSA94.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol?
The IUPAC name of (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol (CID 90213190) is (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol.
What is the SMILES notation for (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol?
The canonical SMILES for (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol is [H]/N=C1/C(N)=CC(c2ccc(N3CCOCC3)c(F)c2)=N[C@@H]1O.
What is the InChIKey of (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol?
The InChIKey is RPPVAFQBPLZUGB-SULWINFOSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-10-7-9(12-8-11(17)14(18)15(21)19-12)1-2-13(10)20-3-5-22-6-4-20/h1-2,7-8,15,18,21H,3-6,17H2/b18-14-/t15-/m1/s1.
What are the key properties of (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol?
(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol has a molecular weight of 304.33 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol is sourced from PubChem (CID 90213190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).