2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol

C6H7ClFN3O — CID 1928143

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanol
SMILESC1=C(C(=NC(=N1)Cl)NCCO)F
InChIInChI=1S/C6H7ClFN3O/c7-6-10-3-4(8)5(11-6)9-1-2-12/h3,12H,1-2H2,(H,9,10,11)
InChIKeyZFTMHCZTPRPUOQ-UHFFFAOYSA-N
MW191.59 g/mol
LogP0.90
Rot. Bonds3

About 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol

2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol (PubChem CID 1928143) has the molecular formula C6H7ClFN3O and a molecular weight of 191.59 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol
PubChem CID1928143
Molecular FormulaC6H7ClFN3O
Molecular Weight191.59 g/mol
Exact Mass191.03
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanol
SMILESC1=C(C(=NC(=N1)Cl)NCCO)F
InChIInChI=1S/C6H7ClFN3O/c7-6-10-3-4(8)5(11-6)9-1-2-12/h3,12H,1-2H2,(H,9,10,11)
InChIKeyZFTMHCZTPRPUOQ-UHFFFAOYSA-N
XLogP0.90
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
CID 1714312
2-Chloro-5-Fluoro-N-Methylpyrimidin-4-Amine
CID 5072307
4-Amino-5-fluoro-2-methoxypyrimidine
CID 44630535
2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
CID 1712972
(4-Aminopyrimidin-2-yl)methanol
CID 53421437
2-{[5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-yl]amino}ethanol
CID 1945080
2-chloro-5-fluoro-N-(propan-2-yl)pyrimidin-4-amine
CID 58336990
2-[(5-Fluoro-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 3285987
2-[(2-Chloropyrimidin-4-yl)amino]ethanol
CID 4737628
3-((2-Chloropyrimidin-4-yl)amino)propan-1-ol
CID 13067039
(2S)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405683
2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine
CID 5306794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol (CID 1928143) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol is C1=C(C(=NC(=N1)Cl)NCCO)F.
What is the InChIKey of 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol?
The InChIKey is ZFTMHCZTPRPUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3O/c7-6-10-3-4(8)5(11-6)9-1-2-12/h3,12H,1-2H2,(H,9,10,11).
What are the key properties of 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol?
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol has a molecular weight of 191.59 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 1928143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).