1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol

C24H27FN4O3 — CID 138712071

IUPAC1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol
SMILESCC(O)C1CN(COCc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1
InChIInChI=1S/C24H27FN4O3/c1-16(30)23-13-29(8-9-32-23)15-31-14-18-4-2-3-5-20(18)17-6-7-21(22(25)10-17)19-11-27-24(26)28-12-19/h2-7,10-12,16,23,30H,8-9,13-15H2,1H3,(H2,26,27,28)
InChIKeySRYBJZASFZKWRH-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.09
Rot. Bonds7

About 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol

1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol (PubChem CID 138712071) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol
PubChem CID138712071
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol
SMILESCC(O)C1CN(COCc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1
InChIInChI=1S/C24H27FN4O3/c1-16(30)23-13-29(8-9-32-23)15-31-14-18-4-2-3-5-20(18)17-6-7-21(22(25)10-17)19-11-27-24(26)28-12-19/h2-7,10-12,16,23,30H,8-9,13-15H2,1H3,(H2,26,27,28)
InChIKeySRYBJZASFZKWRH-UHFFFAOYSA-N
XLogP3.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol?
The IUPAC name of 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol (CID 138712071) is 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol?
The canonical SMILES for 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol is CC(O)C1CN(COCc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1.
What is the InChIKey of 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol?
The InChIKey is SRYBJZASFZKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-16(30)23-13-29(8-9-32-23)15-31-14-18-4-2-3-5-20(18)17-6-7-21(22(25)10-17)19-11-27-24(26)28-12-19/h2-7,10-12,16,23,30H,8-9,13-15H2,1H3,(H2,26,27,28).
What are the key properties of 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol?
1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol has a molecular weight of 438.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]methoxymethyl]morpholin-2-yl]ethanol is sourced from PubChem (CID 138712071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).