1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol

C21H28F3N5O2 — CID 123671016

IUPAC1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
SMILESCCc1ccc(OCC(O)c2cnc(N)nc2C2CCN(CC)CC2)nc1C(F)(F)F
InChIInChI=1S/C21H28F3N5O2/c1-3-13-5-6-17(27-19(13)21(22,23)24)31-12-16(30)15-11-26-20(25)28-18(15)14-7-9-29(4-2)10-8-14/h5-6,11,14,16,30H,3-4,7-10,12H2,1-2H3,(H2,25,26,28)
InChIKeyDADJXEFUDSJCQS-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.35
Rot. Bonds7

About 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol

1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol (PubChem CID 123671016) has the molecular formula C21H28F3N5O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
PubChem CID123671016
Molecular FormulaC21H28F3N5O2
Molecular Weight439.48 g/mol
Exact Mass439.22
IUPAC Name1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
SMILESCCc1ccc(OCC(O)c2cnc(N)nc2C2CCN(CC)CC2)nc1C(F)(F)F
InChIInChI=1S/C21H28F3N5O2/c1-3-13-5-6-17(27-19(13)21(22,23)24)31-12-16(30)15-11-26-20(25)28-18(15)14-7-9-29(4-2)10-8-14/h5-6,11,14,16,30H,3-4,7-10,12H2,1-2H3,(H2,25,26,28)
InChIKeyDADJXEFUDSJCQS-UHFFFAOYSA-N
XLogP3.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
N-[4-[3-(Dimethylamino)propoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347180
(16E)-14-methyl-20-oxa-5,7,14,22,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739948
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)-5-(3-(trifluoromethyl)pyridin-4-yl)pyrimidine
CID 76280987
2,2,2-trifluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283269
2,2-difluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283764
2,2,2-trifluoro-1-(5-(2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidin-5-yl)pyridin-2-yl)ethanol
CID 90182140
2-(5-(4-(((1S,2S)-2-(5-fluoropyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)propan-2-ol
CID 90182165
trans-(1R,3R)-3-[4-[[5-(2-aminopropan-2-yl)-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]cyclohexan-1-ol
CID 165380867
3-(2-Morpholino-6-(pyridin-3-yloxy)pyrimidin-4-yl)phenol
CID 52947480
3-(2-Morpholino-6-(pyridin-2-ylmethoxy)pyrimidin-4-yl)phenol
CID 53320018

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol (CID 123671016) is 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol is CCc1ccc(OCC(O)c2cnc(N)nc2C2CCN(CC)CC2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The InChIKey is DADJXEFUDSJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O2/c1-3-13-5-6-17(27-19(13)21(22,23)24)31-12-16(30)15-11-26-20(25)28-18(15)14-7-9-29(4-2)10-8-14/h5-6,11,14,16,30H,3-4,7-10,12H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol has a molecular weight of 439.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 123671016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).