2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

C20H24FN7O2 — CID 67006856

IUPAC2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(Nc1nc(Nc2cnccn2)cc(N(CCO)CCO)n1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN7O2/c1-14(15-2-4-16(21)5-3-15)24-20-26-17(25-18-13-22-6-7-23-18)12-19(27-20)28(8-10-29)9-11-30/h2-7,12-14,29-30H,8-11H2,1H3,(H2,23,24,25,26,27)
InChIKeyGBCDOFGGYKTGMP-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.11
Rot. Bonds10

About 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 67006856) has the molecular formula C20H24FN7O2 and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID67006856
Molecular FormulaC20H24FN7O2
Molecular Weight413.46 g/mol
Exact Mass413.20
IUPAC Name2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCC(Nc1nc(Nc2cnccn2)cc(N(CCO)CCO)n1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN7O2/c1-14(15-2-4-16(21)5-3-15)24-20-26-17(25-18-13-22-6-7-23-18)12-19(27-20)28(8-10-29)9-11-30/h2-7,12-14,29-30H,8-11H2,1H3,(H2,23,24,25,26,27)
InChIKeyGBCDOFGGYKTGMP-UHFFFAOYSA-N
XLogP2.11
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 67007755
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 67006832
[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol;hydrochloride
CID 67007234
2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)-4-pyridinyl]oxy]ethanol
CID 46866428
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-[(2S)-1-phenylpropan-2-yl]-6-N-pyrazin-2-ylpyrimidine-2,4,6-triamine
CID 175807283
N-[2-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide;hydrochloride
CID 56603081
4-N-[2-(dimethylamino)ethyl]-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,4,6-triamine
CID 56600393
3-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile
CID 56603260
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidine-4-carboximidoyl]formamide
CID 173466535
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
[1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]azetidin-3-yl]methylcarbamic acid
CID 67008021
1-[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)-4-pyridinyl]ethanone;hydrochloride
CID 67008144

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 67006856) is 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is CC(Nc1nc(Nc2cnccn2)cc(N(CCO)CCO)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GBCDOFGGYKTGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O2/c1-14(15-2-4-16(21)5-3-15)24-20-26-17(25-18-13-22-6-7-23-18)12-19(27-20)28(8-10-29)9-11-30/h2-7,12-14,29-30H,8-11H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 413.46 g/mol, XLogP of 2.11, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 67006856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).