5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 114586434

IUPAC5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCNC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyYAXBPJWSQSKLEO-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.19
Rot. Bonds4

About 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586434) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586434
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCNC2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyYAXBPJWSQSKLEO-UHFFFAOYSA-N
XLogP1.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
CID 55156625
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586606
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114586434) is 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CCCNC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is YAXBPJWSQSKLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).