2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol

C16H19F2N3O2 — CID 133471217

IUPAC2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol
SMILESCC(C)Oc1nccnc1NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O2/c1-10(2)23-15-14(19-6-7-20-15)21-9-16(3,22)12-5-4-11(17)8-13(12)18/h4-8,10,22H,9H2,1-3H3,(H,19,21)
InChIKeyADNZLCQOVSPGCK-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.86
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol

2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol (PubChem CID 133471217) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol
PubChem CID133471217
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol
SMILESCC(C)Oc1nccnc1NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O2/c1-10(2)23-15-14(19-6-7-20-15)21-9-16(3,22)12-5-4-11(17)8-13(12)18/h4-8,10,22H,9H2,1-3H3,(H,19,21)
InChIKeyADNZLCQOVSPGCK-UHFFFAOYSA-N
XLogP2.86
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
1-(3-fluorophenyl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133468845
1-[(7-chloroquinazolin-4-yl)amino]-2-(2,4-difluorophenyl)propan-2-ol
CID 86951858
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111466873
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
2-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811942
2-[[[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811943

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol (CID 133471217) is 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol is CC(C)Oc1nccnc1NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol?
The InChIKey is ADNZLCQOVSPGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-10(2)23-15-14(19-6-7-20-15)21-9-16(3,22)12-5-4-11(17)8-13(12)18/h4-8,10,22H,9H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol?
2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol has a molecular weight of 323.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[(3-propan-2-yloxypyrazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 133471217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).