2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine

C14H16FN5O2 — CID 171701024

IUPAC2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(c3ncncc3F)C2)nc1
InChIInChI=1S/C14H16FN5O2/c1-21-11-5-17-14(18-6-11)22-10-3-2-4-20(8-10)13-12(15)7-16-9-19-13/h5-7,9-10H,2-4,8H2,1H3
InChIKeyRZWAFSZIJAYJSR-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.46
Rot. Bonds4

About 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine

2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 171701024) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID171701024
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(c3ncncc3F)C2)nc1
InChIInChI=1S/C14H16FN5O2/c1-21-11-5-17-14(18-6-11)22-10-3-2-4-20(8-10)13-12(15)7-16-9-19-13/h5-7,9-10H,2-4,8H2,1H3
InChIKeyRZWAFSZIJAYJSR-UHFFFAOYSA-N
XLogP1.46
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine (CID 171701024) is 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine is COc1cnc(OC2CCCN(c3ncncc3F)C2)nc1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is RZWAFSZIJAYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-21-11-5-17-14(18-6-11)22-10-3-2-4-20(8-10)13-12(15)7-16-9-19-13/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 305.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 171701024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).