2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol

C12H11ClFN3O — CID 50981763

IUPAC2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-c2cccc(Cl)c2F)ncn1
InChIInChI=1S/C12H11ClFN3O/c13-9-3-1-2-8(12(9)14)10-6-11(15-4-5-18)17-7-16-10/h1-3,6-7,18H,4-5H2,(H,15,16,17)
InChIKeyPVEDQPUMZQEXPB-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.34
Rot. Bonds4

About 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol

2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 50981763) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol
PubChem CID50981763
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-c2cccc(Cl)c2F)ncn1
InChIInChI=1S/C12H11ClFN3O/c13-9-3-1-2-8(12(9)14)10-6-11(15-4-5-18)17-7-16-10/h1-3,6-7,18H,4-5H2,(H,15,16,17)
InChIKeyPVEDQPUMZQEXPB-UHFFFAOYSA-N
XLogP2.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol (CID 50981763) is 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol is OCCNc1cc(-c2cccc(Cl)c2F)ncn1.
What is the InChIKey of 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is PVEDQPUMZQEXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-9-3-1-2-8(12(9)14)10-6-11(15-4-5-18)17-7-16-10/h1-3,6-7,18H,4-5H2,(H,15,16,17).
What are the key properties of 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol?
2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 267.69 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 50981763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).