3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol

C14H15FN6O — CID 154649430

IUPAC3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol
SMILESNc1nc(NCCCO)c2cc(F)c(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H15FN6O/c15-10-6-9-12(7-8(10)11-2-4-18-21-11)19-14(16)20-13(9)17-3-1-5-22/h2,4,6-7,22H,1,3,5H2,(H,18,21)(H3,16,17,19,20)
InChIKeySILAYWOHYMSRGC-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.54
Rot. Bonds5

About 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol

3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol (PubChem CID 154649430) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol
PubChem CID154649430
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol
SMILESNc1nc(NCCCO)c2cc(F)c(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H15FN6O/c15-10-6-9-12(7-8(10)11-2-4-18-21-11)19-14(16)20-13(9)17-3-1-5-22/h2,4,6-7,22H,1,3,5H2,(H,18,21)(H3,16,17,19,20)
InChIKeySILAYWOHYMSRGC-UHFFFAOYSA-N
XLogP1.54
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol (CID 154649430) is 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol is Nc1nc(NCCCO)c2cc(F)c(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol?
The InChIKey is SILAYWOHYMSRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c15-10-6-9-12(7-8(10)11-2-4-18-21-11)19-14(16)20-13(9)17-3-1-5-22/h2,4,6-7,22H,1,3,5H2,(H,18,21)(H3,16,17,19,20).
What are the key properties of 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol?
3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol has a molecular weight of 302.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 154649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).