2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine

C15H18ClN5O — CID 138988924

IUPAC2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
SMILESCCc1cnc(OC2CCN(c3ncc(Cl)cn3)CC2)nc1
InChIInChI=1S/C15H18ClN5O/c1-2-11-7-19-15(20-8-11)22-13-3-5-21(6-4-13)14-17-9-12(16)10-18-14/h7-10,13H,2-6H2,1H3
InChIKeyFLAQGGBNZFJWOZ-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine (PubChem CID 138988924) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
PubChem CID138988924
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
SMILESCCc1cnc(OC2CCN(c3ncc(Cl)cn3)CC2)nc1
InChIInChI=1S/C15H18ClN5O/c1-2-11-7-19-15(20-8-11)22-13-3-5-21(6-4-13)14-17-9-12(16)10-18-14/h7-10,13H,2-6H2,1H3
InChIKeyFLAQGGBNZFJWOZ-UHFFFAOYSA-N
XLogP2.53
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine?
The IUPAC name of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine (CID 138988924) is 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine.
What is the SMILES notation for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine?
The canonical SMILES for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine is CCc1cnc(OC2CCN(c3ncc(Cl)cn3)CC2)nc1.
What is the InChIKey of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine?
The InChIKey is FLAQGGBNZFJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-2-11-7-19-15(20-8-11)22-13-3-5-21(6-4-13)14-17-9-12(16)10-18-14/h7-10,13H,2-6H2,1H3.
What are the key properties of 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine?
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine has a molecular weight of 319.80 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine is sourced from PubChem (CID 138988924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).