4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine

C15H18FN5O — CID 139022951

IUPAC4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
SMILESCCc1cnc(OC2CCN(c3ncncc3F)CC2)nc1
InChIInChI=1S/C15H18FN5O/c1-2-11-7-18-15(19-8-11)22-12-3-5-21(6-4-12)14-13(16)9-17-10-20-14/h7-10,12H,2-6H2,1H3
InChIKeyPRIGOMUJDHWAON-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.02
Rot. Bonds4

About 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine

4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine (PubChem CID 139022951) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
PubChem CID139022951
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
SMILESCCc1cnc(OC2CCN(c3ncncc3F)CC2)nc1
InChIInChI=1S/C15H18FN5O/c1-2-11-7-18-15(19-8-11)22-12-3-5-21(6-4-12)14-13(16)9-17-10-20-14/h7-10,12H,2-6H2,1H3
InChIKeyPRIGOMUJDHWAON-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine (CID 139022951) is 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine is CCc1cnc(OC2CCN(c3ncncc3F)CC2)nc1.
What is the InChIKey of 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
The InChIKey is PRIGOMUJDHWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-2-11-7-18-15(19-8-11)22-12-3-5-21(6-4-12)14-13(16)9-17-10-20-14/h7-10,12H,2-6H2,1H3.
What are the key properties of 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine?
4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine has a molecular weight of 303.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 139022951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).