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

C13H13ClFN3O — CID 144516553

IUPAC2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
SMILESCc1ncc(Cl)c(NC(CO)c2ccccc2F)n1
InChIInChI=1S/C13H13ClFN3O/c1-8-16-6-10(14)13(17-8)18-12(7-19)9-4-2-3-5-11(9)15/h2-6,12,19H,7H2,1H3,(H,16,17,18)
InChIKeyPIRVREPBSKAGFE-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.72
Rot. Bonds4

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

2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol (PubChem CID 144516553) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
PubChem CID144516553
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
SMILESCc1ncc(Cl)c(NC(CO)c2ccccc2F)n1
InChIInChI=1S/C13H13ClFN3O/c1-8-16-6-10(14)13(17-8)18-12(7-19)9-4-2-3-5-11(9)15/h2-6,12,19H,7H2,1H3,(H,16,17,18)
InChIKeyPIRVREPBSKAGFE-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol
CID 140645823
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
(2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86622412
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 89399641
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
(2S)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(3-fluorophenyl)ethanol
CID 89399630
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
CID 71239843
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol
CID 123675119
(2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol
CID 170438220

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol (CID 144516553) is 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol is Cc1ncc(Cl)c(NC(CO)c2ccccc2F)n1.
What is the InChIKey of 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol?
The InChIKey is PIRVREPBSKAGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-8-16-6-10(14)13(17-8)18-12(7-19)9-4-2-3-5-11(9)15/h2-6,12,19H,7H2,1H3,(H,16,17,18).
What are the key properties of 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol?
2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol has a molecular weight of 281.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 144516553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).