2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol

C12H11ClFN3O — CID 87727171

IUPAC2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1ccnc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H11ClFN3O/c13-12-15-5-4-11(17-12)16-7-10(18)8-2-1-3-9(14)6-8/h1-6,10,18H,7H2,(H,15,16,17)
InChIKeyFBEPQXVGBMAFPL-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.41
Rot. Bonds4

About 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol

2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol (PubChem CID 87727171) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
PubChem CID87727171
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1ccnc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H11ClFN3O/c13-12-15-5-4-11(17-12)16-7-10(18)8-2-1-3-9(14)6-8/h1-6,10,18H,7H2,(H,15,16,17)
InChIKeyFBEPQXVGBMAFPL-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

(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
CID 107606605
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol (CID 87727171) is 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol is OC(CNc1ccnc(Cl)n1)c1cccc(F)c1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol?
The InChIKey is FBEPQXVGBMAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-12-15-5-4-11(17-12)16-7-10(18)8-2-1-3-9(14)6-8/h1-6,10,18H,7H2,(H,15,16,17).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol?
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-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-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 87727171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).