(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol

C14H19FN4O — CID 71041846

IUPAC(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12
InChIInChI=1S/C14H19FN4O/c1-2-4-9(7-8-20)17-13-10-5-3-6-11(15)12(10)18-14(16)19-13/h3,5-6,9,20H,2,4,7-8H2,1H3,(H3,16,17,18,19)/t9-/m0/s1
InChIKeyDMHYWBCNPUZCKE-VIFPVBQESA-N
MW278.33 g/mol
LogP2.31
Rot. Bonds6

About (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol

(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol (PubChem CID 71041846) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol
PubChem CID71041846
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12
InChIInChI=1S/C14H19FN4O/c1-2-4-9(7-8-20)17-13-10-5-3-6-11(15)12(10)18-14(16)19-13/h3,5-6,9,20H,2,4,7-8H2,1H3,(H3,16,17,18,19)/t9-/m0/s1
InChIKeyDMHYWBCNPUZCKE-VIFPVBQESA-N
XLogP2.31
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol?
The IUPAC name of (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol (CID 71041846) is (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol is CCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12.
What is the InChIKey of (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol?
The InChIKey is DMHYWBCNPUZCKE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-4-9(7-8-20)17-13-10-5-3-6-11(15)12(10)18-14(16)19-13/h3,5-6,9,20H,2,4,7-8H2,1H3,(H3,16,17,18,19)/t9-/m0/s1.
What are the key properties of (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol?
(3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol has a molecular weight of 278.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 71041846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).