4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine

C14H16FN5O — CID 139028665

IUPAC4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
SMILESCc1nccc(N2CCC(Oc3ncc(F)cn3)CC2)n1
InChIInChI=1S/C14H16FN5O/c1-10-16-5-2-13(19-10)20-6-3-12(4-7-20)21-14-17-8-11(15)9-18-14/h2,5,8-9,12H,3-4,6-7H2,1H3
InChIKeyRGYAAMQTQADNIU-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.76
Rot. Bonds3

About 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine

4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine (PubChem CID 139028665) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
PubChem CID139028665
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
SMILESCc1nccc(N2CCC(Oc3ncc(F)cn3)CC2)n1
InChIInChI=1S/C14H16FN5O/c1-10-16-5-2-13(19-10)20-6-3-12(4-7-20)21-14-17-8-11(15)9-18-14/h2,5,8-9,12H,3-4,6-7H2,1H3
InChIKeyRGYAAMQTQADNIU-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 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine (CID 139028665) is 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine is Cc1nccc(N2CCC(Oc3ncc(F)cn3)CC2)n1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine?
The InChIKey is RGYAAMQTQADNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-10-16-5-2-13(19-10)20-6-3-12(4-7-20)21-14-17-8-11(15)9-18-14/h2,5,8-9,12H,3-4,6-7H2,1H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine?
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine 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 4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 139028665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).