2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol

C13H17FN4O — CID 167045236

IUPAC2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(N)nc2cccc(F)c12
InChIInChI=1S/C13H17FN4O/c1-2-4-8(7-19)16-12-11-9(14)5-3-6-10(11)17-13(15)18-12/h3,5-6,8,19H,2,4,7H2,1H3,(H3,15,16,17,18)
InChIKeyBIQFMYFZCJOJFB-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol

2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol (PubChem CID 167045236) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
PubChem CID167045236
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1nc(N)nc2cccc(F)c12
InChIInChI=1S/C13H17FN4O/c1-2-4-8(7-19)16-12-11-9(14)5-3-6-10(11)17-13(15)18-12/h3,5-6,8,19H,2,4,7H2,1H3,(H3,15,16,17,18)
InChIKeyBIQFMYFZCJOJFB-UHFFFAOYSA-N
XLogP1.92
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol
CID 151875719
4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
CID 71041918
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
CID 71041909
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
CID 71041916
2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585181
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol?
The IUPAC name of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol (CID 167045236) is 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol is CCCC(CO)Nc1nc(N)nc2cccc(F)c12.
What is the InChIKey of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol?
The InChIKey is BIQFMYFZCJOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-2-4-8(7-19)16-12-11-9(14)5-3-6-10(11)17-13(15)18-12/h3,5-6,8,19H,2,4,7H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol?
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol has a molecular weight of 264.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 167045236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).