(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol

C11H12FN3O — CID 133428083

IUPAC(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C11H12FN3O/c1-7(5-16)15-11-9-4-8(12)2-3-10(9)13-6-14-11/h2-4,6-7,16H,5H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyXWWWZFXJWTXFJF-ZETCQYMHSA-N
MW221.24 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol

(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol (PubChem CID 133428083) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
PubChem CID133428083
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncnc2ccc(F)cc12
InChIInChI=1S/C11H12FN3O/c1-7(5-16)15-11-9-4-8(12)2-3-10(9)13-6-14-11/h2-4,6-7,16H,5H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyXWWWZFXJWTXFJF-ZETCQYMHSA-N
XLogP1.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol (CID 133428083) is (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol is C[C@@H](CO)Nc1ncnc2ccc(F)cc12.
What is the InChIKey of (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol?
The InChIKey is XWWWZFXJWTXFJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(5-16)15-11-9-4-8(12)2-3-10(9)13-6-14-11/h2-4,6-7,16H,5H2,1H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol?
(2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol has a molecular weight of 221.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-fluoroquinazolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133428083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).