2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol

C13H13FN6O — CID 154649256

IUPAC2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C13H13FN6O/c14-8-5-7(9-1-2-17-20-9)6-10-11(8)12(16-3-4-21)19-13(15)18-10/h1-2,5-6,21H,3-4H2,(H,17,20)(H3,15,16,18,19)
InChIKeyBNAFGCAQNOXMHJ-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.15
Rot. Bonds4

About 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol

2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol (PubChem CID 154649256) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol
PubChem CID154649256
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC Name2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C13H13FN6O/c14-8-5-7(9-1-2-17-20-9)6-10-11(8)12(16-3-4-21)19-13(15)18-10/h1-2,5-6,21H,3-4H2,(H,17,20)(H3,15,16,18,19)
InChIKeyBNAFGCAQNOXMHJ-UHFFFAOYSA-N
XLogP1.15
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol (CID 154649256) is 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol is Nc1nc(NCCO)c2c(F)cc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol?
The InChIKey is BNAFGCAQNOXMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c14-8-5-7(9-1-2-17-20-9)6-10-11(8)12(16-3-4-21)19-13(15)18-10/h1-2,5-6,21H,3-4H2,(H,17,20)(H3,15,16,18,19).
What are the key properties of 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol?
2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol has a molecular weight of 288.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 154649256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).