2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine

C14H16FN5O — CID 171700884

IUPAC2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(c3ncncc3F)CC2)n1
InChIInChI=1S/C14H16FN5O/c1-10-6-16-8-13(19-10)21-11-2-4-20(5-3-11)14-12(15)7-17-9-18-14/h6-9,11H,2-5H2,1H3
InChIKeyCUETYSFCXYGRDY-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.76
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine

2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171700884) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171700884
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(c3ncncc3F)CC2)n1
InChIInChI=1S/C14H16FN5O/c1-10-6-16-8-13(19-10)21-11-2-4-20(5-3-11)14-12(15)7-17-9-18-14/h6-9,11H,2-5H2,1H3
InChIKeyCUETYSFCXYGRDY-UHFFFAOYSA-N
XLogP1.76
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine (CID 171700884) is 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(c3ncncc3F)CC2)n1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is CUETYSFCXYGRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-10-6-16-8-13(19-10)21-11-2-4-20(5-3-11)14-12(15)7-17-9-18-14/h6-9,11H,2-5H2,1H3.
What are the key properties of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 289.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine is sourced from PubChem (CID 171700884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).