2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine

C15H18FN5O — CID 165434592

IUPAC2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncncc2F)CC1
InChIInChI=1S/C15H18FN5O/c1-11-15(19-5-4-18-11)22-9-12-2-6-21(7-3-12)14-13(16)8-17-10-20-14/h4-5,8,10,12H,2-3,6-7,9H2,1H3
InChIKeyLPECXHGGMRKLSQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.01
Rot. Bonds4

About 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine

2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine (PubChem CID 165434592) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine.

Molecular Properties

Compound Name2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine
PubChem CID165434592
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncncc2F)CC1
InChIInChI=1S/C15H18FN5O/c1-11-15(19-5-4-18-11)22-9-12-2-6-21(7-3-12)14-13(16)8-17-10-20-14/h4-5,8,10,12H,2-3,6-7,9H2,1H3
InChIKeyLPECXHGGMRKLSQ-UHFFFAOYSA-N
XLogP2.01
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.01
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]methoxy]-3-methylpyrazine?
The IUPAC name of 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine (CID 165434592) is 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine.
What is the SMILES notation for 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The canonical SMILES for 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine is Cc1nccnc1OCC1CCN(c2ncncc2F)CC1.
What is the InChIKey of 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The InChIKey is LPECXHGGMRKLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-11-15(19-5-4-18-11)22-9-12-2-6-21(7-3-12)14-13(16)8-17-10-20-14/h4-5,8,10,12H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine?
2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-3-methylpyrazine has a molecular weight of 303.34 g/mol, XLogP of 2.01, 4 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]methoxy]-3-methylpyrazine is sourced from PubChem (CID 165434592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).