5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine

C17H28N4O3 — CID 56983160

IUPAC5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine
SMILESCOc1c(OC2CCN(C)CC2)ncnc1OC1CCN(C)CC1
InChIInChI=1S/C17H28N4O3/c1-20-8-4-13(5-9-20)23-16-15(22-3)17(19-12-18-16)24-14-6-10-21(2)11-7-14/h12-14H,4-11H2,1-3H3
InChIKeyIKUPZNIWYSNVRB-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.43
Rot. Bonds5

About 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine

5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine (PubChem CID 56983160) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine
PubChem CID56983160
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine
SMILESCOc1c(OC2CCN(C)CC2)ncnc1OC1CCN(C)CC1
InChIInChI=1S/C17H28N4O3/c1-20-8-4-13(5-9-20)23-16-15(22-3)17(19-12-18-16)24-14-6-10-21(2)11-7-14/h12-14H,4-11H2,1-3H3
InChIKeyIKUPZNIWYSNVRB-UHFFFAOYSA-N
XLogP1.43
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine?
The IUPAC name of 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine (CID 56983160) is 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine.
What is the SMILES notation for 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine?
The canonical SMILES for 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine is COc1c(OC2CCN(C)CC2)ncnc1OC1CCN(C)CC1.
What is the InChIKey of 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine?
The InChIKey is IKUPZNIWYSNVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20-8-4-13(5-9-20)23-16-15(22-3)17(19-12-18-16)24-14-6-10-21(2)11-7-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine?
5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine is sourced from PubChem (CID 56983160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).