2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol

C7H9ClFN3O — CID 155591634

IUPAC2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(Cl)c1F
InChIInChI=1S/C7H9ClFN3O/c1-12(2-3-13)7-5(9)6(8)10-4-11-7/h4,13H,2-3H2,1H3
InChIKeyRRTJAXMLQYAYJR-UHFFFAOYSA-N
MW205.62 g/mol
LogP0.70
Rot. Bonds3

About 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol

2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol (PubChem CID 155591634) has the molecular formula C7H9ClFN3O and a molecular weight of 205.62 g/mol. Its IUPAC name is 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol
PubChem CID155591634
Molecular FormulaC7H9ClFN3O
Molecular Weight205.62 g/mol
Exact Mass205.04
IUPAC Name2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(Cl)c1F
InChIInChI=1S/C7H9ClFN3O/c1-12(2-3-13)7-5(9)6(8)10-4-11-7/h4,13H,2-3H2,1H3
InChIKeyRRTJAXMLQYAYJR-UHFFFAOYSA-N
XLogP0.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol (CID 155591634) is 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol is CN(CCO)c1ncnc(Cl)c1F.
What is the InChIKey of 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol?
The InChIKey is RRTJAXMLQYAYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3O/c1-12(2-3-13)7-5(9)6(8)10-4-11-7/h4,13H,2-3H2,1H3.
What are the key properties of 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol?
2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol has a molecular weight of 205.62 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-fluoropyrimidin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 155591634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).