2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol

C12H11ClFN3O — CID 116975007

IUPAC2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H11ClFN3O/c13-10-5-8(1-2-11(10)14)9-6-16-12(17-7-9)15-3-4-18/h1-2,5-7,18H,3-4H2,(H,15,16,17)
InChIKeyRDFPUPICKXICDG-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.34
Rot. Bonds4

About 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol

2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 116975007) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol
PubChem CID116975007
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H11ClFN3O/c13-10-5-8(1-2-11(10)14)9-6-16-12(17-7-9)15-3-4-18/h1-2,5-7,18H,3-4H2,(H,15,16,17)
InChIKeyRDFPUPICKXICDG-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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Related Compounds

N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974150
2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol
CID 129237744
2-[[5-(4-chlorophenyl)pyrimidin-2-yl]amino]ethanethiol
CID 116975365
N'-[5-(3-chlorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224110
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974151
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
CID 113324799
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
6-(3-chloro-4-fluorophenyl)pyridin-3-ol
CID 53229421
[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876857

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol (CID 116975007) is 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol is OCCNc1ncc(-c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is RDFPUPICKXICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-10-5-8(1-2-11(10)14)9-6-16-12(17-7-9)15-3-4-18/h1-2,5-7,18H,3-4H2,(H,15,16,17).
What are the key properties of 2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol?
2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-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-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 116975007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).