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

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Related Compounds

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 154582809
3-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]pyridine-2-carbonitrile
CID 139023001
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
1-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 139022949
[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 138988329
4-[[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 139028733
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582483
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
CID 175648838

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).