(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol

C14H19FN4O — CID 71041841

IUPAC(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12
InChIInChI=1S/C14H19FN4O/c1-2-3-10(6-7-20)17-13-11-5-4-9(15)8-12(11)18-14(16)19-13/h4-5,8,10,20H,2-3,6-7H2,1H3,(H3,16,17,18,19)/t10-/m0/s1
InChIKeyBRGBGFQNIVGJBJ-JTQLQIEISA-N
MW278.33 g/mol
LogP2.31
Rot. Bonds6

About (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol

(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol (PubChem CID 71041841) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol
PubChem CID71041841
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name(3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12
InChIInChI=1S/C14H19FN4O/c1-2-3-10(6-7-20)17-13-11-5-4-9(15)8-12(11)18-14(16)19-13/h4-5,8,10,20H,2-3,6-7H2,1H3,(H3,16,17,18,19)/t10-/m0/s1
InChIKeyBRGBGFQNIVGJBJ-JTQLQIEISA-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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Related Compounds

Importazole
CID 2949965
N-Cyclohexylquinazolin-4-amine
CID 13231190
CID 2971918
CID 2971918
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
4-N-benzyl-2-N-butylquinazoline-2,4-diamine
CID 52110748
2-[(4-Phenylquinazolin-2-yl)amino]ethanol
CID 661382
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995
N-Isopropyl-2-phenyl-4-quinazolinamine
CID 719252
N4-benzylquinazoline-2,4-diamine
CID 57342784
2-[(Quinolin-2-yl)amino]ethan-1-ol
CID 593855

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol?
The IUPAC name of (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol (CID 71041841) is (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol is CCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12.
What is the InChIKey of (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol?
The InChIKey is BRGBGFQNIVGJBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-3-10(6-7-20)17-13-11-5-4-9(15)8-12(11)18-14(16)19-13/h4-5,8,10,20H,2-3,6-7H2,1H3,(H3,16,17,18,19)/t10-/m0/s1.
What are the key properties of (3S)-3-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol?
(3S)-3-[(2-amino-7-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-7-fluoroquinazolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 71041841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).