2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol

C20H27Cl2N5O2 — CID 22322207

IUPAC2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nccc(NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H27Cl2N5O2/c1-26(12-13-28)20-24-7-4-19(25-20)23-8-11-27-9-5-15(6-10-27)29-16-2-3-17(21)18(22)14-16/h2-4,7,14-15,28H,5-6,8-13H2,1H3,(H,23,24,25)
InChIKeyPVPXVESRTMPRRZ-UHFFFAOYSA-N
MW440.38 g/mol
LogP3.17
Rot. Bonds9

About 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol

2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol (PubChem CID 22322207) has the molecular formula C20H27Cl2N5O2 and a molecular weight of 440.38 g/mol. Its IUPAC name is 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol
PubChem CID22322207
Molecular FormulaC20H27Cl2N5O2
Molecular Weight440.38 g/mol
Exact Mass439.15
IUPAC Name2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nccc(NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H27Cl2N5O2/c1-26(12-13-28)20-24-7-4-19(25-20)23-8-11-27-9-5-15(6-10-27)29-16-2-3-17(21)18(22)14-16/h2-4,7,14-15,28H,5-6,8-13H2,1H3,(H,23,24,25)
InChIKeyPVPXVESRTMPRRZ-UHFFFAOYSA-N
XLogP3.17
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol with MolForge

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Related Compounds

1-(4-Chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2850208
2-(1-(6-(3-Chlorophenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026493
2-(1-(6-(4-Chlorophenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026689
1-(3,4-Dichlorophenoxy)-3-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol
CID 2796061
1-(3,4-Dichlorophenoxy)-3-({2-[(5-propylpyrimidin-2-yl)amino]ethyl}amino)propan-2-ol
CID 2796064
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(2,4,5-trichlorophenoxy)propan-2-ol
CID 4570443
1-(3,4-Dichlorophenoxy)-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]propan-2-ol
CID 2795823
(2S)-1-(3,4-dichlorophenoxy)-3-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol
CID 25769104
4-N-[2-[(3,5-dichlorophenoxy)methyl]pyrimidin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 44400881
4-N-[2-[(3-chlorophenoxy)methyl]pyrimidin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 44400922
2-(3-chlorophenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 45831624
Cyto1F2
CID 2795975

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol (CID 22322207) is 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol is CN(CCO)c1nccc(NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol?
The InChIKey is PVPXVESRTMPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N5O2/c1-26(12-13-28)20-24-7-4-19(25-20)23-8-11-27-9-5-15(6-10-27)29-16-2-3-17(21)18(22)14-16/h2-4,7,14-15,28H,5-6,8-13H2,1H3,(H,23,24,25).
What are the key properties of 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol?
2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol has a molecular weight of 440.38 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethylamino]pyrimidin-2-yl]-methylamino]ethanol is sourced from PubChem (CID 22322207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).