2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol

C17H18ClFN6O2 — CID 140645823

IUPAC2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol
SMILESCC1=CN(Nc2ncc(Cl)c(NC(CO)c3ccccc3F)n2)C=CN1O
InChIInChI=1S/C17H18ClFN6O2/c1-11-9-24(6-7-25(11)27)23-17-20-8-13(18)16(22-17)21-15(10-26)12-4-2-3-5-14(12)19/h2-9,15,26-27H,10H2,1H3,(H2,20,21,22,23)
InChIKeyFXQQEUURUCOAHI-UHFFFAOYSA-N
MW392.82 g/mol
LogP3.08
Rot. Bonds6

About 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol

2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol (PubChem CID 140645823) has the molecular formula C17H18ClFN6O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol
PubChem CID140645823
Molecular FormulaC17H18ClFN6O2
Molecular Weight392.82 g/mol
Exact Mass392.12
IUPAC Name2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol
SMILESCC1=CN(Nc2ncc(Cl)c(NC(CO)c3ccccc3F)n2)C=CN1O
InChIInChI=1S/C17H18ClFN6O2/c1-11-9-24(6-7-25(11)27)23-17-20-8-13(18)16(22-17)21-15(10-26)12-4-2-3-5-14(12)19/h2-9,15,26-27H,10H2,1H3,(H2,20,21,22,23)
InChIKeyFXQQEUURUCOAHI-UHFFFAOYSA-N
XLogP3.08
TPSA96.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol with MolForge

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Related Compounds

2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
CID 144516553
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol
CID 166164074
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
CID 71239843
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
CID 78044737
2-[3-[[5-chloro-4-[[1-(2-fluoro-6-methylphenyl)-2-methoxyethyl]amino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
CID 144516559
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 89399641
(2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86622412
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
(2S)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(3-fluorophenyl)ethanol
CID 89399630
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol (CID 140645823) is 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol is CC1=CN(Nc2ncc(Cl)c(NC(CO)c3ccccc3F)n2)C=CN1O.
What is the InChIKey of 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol?
The InChIKey is FXQQEUURUCOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN6O2/c1-11-9-24(6-7-25(11)27)23-17-20-8-13(18)16(22-17)21-15(10-26)12-4-2-3-5-14(12)19/h2-9,15,26-27H,10H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol?
2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol has a molecular weight of 392.82 g/mol, XLogP of 3.08, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 140645823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).