2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine

C17H22N4O2 — CID 131901674

IUPAC2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC(OCc3ccccn3)CC2)cn1
InChIInChI=1S/C17H22N4O2/c1-22-17-19-10-14(11-20-17)12-21-8-5-16(6-9-21)23-13-15-4-2-3-7-18-15/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3
InChIKeyZADZJMYTDWZLRN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.06
Rot. Bonds6

About 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine

2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine (PubChem CID 131901674) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
PubChem CID131901674
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCOc1ncc(CN2CCC(OCc3ccccn3)CC2)cn1
InChIInChI=1S/C17H22N4O2/c1-22-17-19-10-14(11-20-17)12-21-8-5-16(6-9-21)23-13-15-4-2-3-7-18-15/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3
InChIKeyZADZJMYTDWZLRN-UHFFFAOYSA-N
XLogP2.06
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine (CID 131901674) is 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine is COc1ncc(CN2CCC(OCc3ccccn3)CC2)cn1.
What is the InChIKey of 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is ZADZJMYTDWZLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-17-19-10-14(11-20-17)12-21-8-5-16(6-9-21)23-13-15-4-2-3-7-18-15/h2-4,7,10-11,16H,5-6,8-9,12-13H2,1H3.
What are the key properties of 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine?
2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 314.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 131901674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).