2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol

C15H13FN4O — CID 155917158

IUPAC2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-c2cnc3cccc(F)c3c2)ncn1
InChIInChI=1S/C15H13FN4O/c16-12-2-1-3-13-11(12)6-10(8-18-13)14-7-15(17-4-5-21)20-9-19-14/h1-3,6-9,21H,4-5H2,(H,17,19,20)
InChIKeyDHRDTUKYBWGZDJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.24
Rot. Bonds4

About 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol

2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 155917158) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID155917158
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-c2cnc3cccc(F)c3c2)ncn1
InChIInChI=1S/C15H13FN4O/c16-12-2-1-3-13-11(12)6-10(8-18-13)14-7-15(17-4-5-21)20-9-19-14/h1-3,6-9,21H,4-5H2,(H,17,19,20)
InChIKeyDHRDTUKYBWGZDJ-UHFFFAOYSA-N
XLogP2.24
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoroquinolin-3-yl)-1,2-thiazole
CID 155918736
N-ethyl-2-(5-fluoroquinolin-3-yl)benzamide
CID 155510016
2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol
CID 74234848
2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
CID 50956839
5-fluoro-3-(6-propan-2-yloxypyridazin-3-yl)quinoline
CID 155915889
N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide
CID 155909866
ethane;5-fluoro-3-methylquinoline
CID 156751037
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 155911122
3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
8-[(2S)-1-[[6-[6-[2-(2-hydroxyethylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982725

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol (CID 155917158) is 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol is OCCNc1cc(-c2cnc3cccc(F)c3c2)ncn1.
What is the InChIKey of 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is DHRDTUKYBWGZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-12-2-1-3-13-11(12)6-10(8-18-13)14-7-15(17-4-5-21)20-9-19-14/h1-3,6-9,21H,4-5H2,(H,17,19,20).
What are the key properties of 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol?
2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 284.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 155917158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).