4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine

C17H22N4O2 — CID 135154118

IUPAC4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOc1ccc(OC2CCN(c3ncnc(C)c3C)CC2)cn1
InChIInChI=1S/C17H22N4O2/c1-12-13(2)19-11-20-17(12)21-8-6-14(7-9-21)23-15-4-5-16(22-3)18-10-15/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyBEYDFXHAQRKONK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.54
Rot. Bonds4

About 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine

4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 135154118) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
PubChem CID135154118
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCOc1ccc(OC2CCN(c3ncnc(C)c3C)CC2)cn1
InChIInChI=1S/C17H22N4O2/c1-12-13(2)19-11-20-17(12)21-8-6-14(7-9-21)23-15-4-5-16(22-3)18-10-15/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyBEYDFXHAQRKONK-UHFFFAOYSA-N
XLogP2.54
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine (CID 135154118) is 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine is COc1ccc(OC2CCN(c3ncnc(C)c3C)CC2)cn1.
What is the InChIKey of 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is BEYDFXHAQRKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-13(2)19-11-20-17(12)21-8-6-14(7-9-21)23-15-4-5-16(22-3)18-10-15/h4-5,10-11,14H,6-9H2,1-3H3.
What are the key properties of 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine?
4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 314.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 135154118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).