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4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine

C18H24FN5O — CID 155798510

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(F)c(OCC2CCN(c3ncnc(C)c3C)CC2)n1
InChIInChI=1S/C18H24FN5O/c1-11-12(2)20-10-21-17(11)24-7-5-15(6-8-24)9-25-18-16(19)13(3)22-14(4)23-18/h10,15H,5-9H2,1-4H3
InChIKeyUBLWIQWBXFMXMM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.93
Rot. Bonds4

About 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine

4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine (PubChem CID 155798510) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
PubChem CID155798510
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(F)c(OCC2CCN(c3ncnc(C)c3C)CC2)n1
InChIInChI=1S/C18H24FN5O/c1-11-12(2)20-10-21-17(11)24-7-5-15(6-8-24)9-25-18-16(19)13(3)22-14(4)23-18/h10,15H,5-9H2,1-4H3
InChIKeyUBLWIQWBXFMXMM-UHFFFAOYSA-N
XLogP2.93
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
The IUPAC name of 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine (CID 155798510) is 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine is Cc1nc(C)c(F)c(OCC2CCN(c3ncnc(C)c3C)CC2)n1.
What is the InChIKey of 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
The InChIKey is UBLWIQWBXFMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-11-12(2)20-10-21-17(11)24-7-5-15(6-8-24)9-25-18-16(19)13(3)22-14(4)23-18/h10,15H,5-9H2,1-4H3.
What are the key properties of 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine has a molecular weight of 345.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine is sourced from PubChem (CID 155798510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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