2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol

C12H11ClFN3O — CID 76641108

IUPAC2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1cc(Cl)ncn1)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFN3O/c13-11-5-12(17-7-16-11)15-6-10(18)8-1-3-9(14)4-2-8/h1-5,7,10,18H,6H2,(H,15,16,17)
InChIKeyPTSNZRNAKUNVDJ-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.41
Rot. Bonds4

About 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol

2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 76641108) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID76641108
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1cc(Cl)ncn1)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFN3O/c13-11-5-12(17-7-16-11)15-6-10(18)8-1-3-9(14)4-2-8/h1-5,7,10,18H,6H2,(H,15,16,17)
InChIKeyPTSNZRNAKUNVDJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 36790111
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 66169551
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
CID 61224926
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
CID 62693783

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol (CID 76641108) is 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol is OC(CNc1cc(Cl)ncn1)c1ccc(F)cc1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is PTSNZRNAKUNVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-11-5-12(17-7-16-11)15-6-10(18)8-1-3-9(14)4-2-8/h1-5,7,10,18H,6H2,(H,15,16,17).
What are the key properties of 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol?
2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 267.69 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 76641108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).