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

C11H16ClN3O2 — CID 114586373

IUPAC5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCCN2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(16)14-7-15-11(9)17-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyBTQCSAGUZTZKLQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.33
Rot. Bonds4

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

5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586373) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586373
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCCN2)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(16)14-7-15-11(9)17-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyBTQCSAGUZTZKLQ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113616100
5-chloro-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586278
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
5-bromo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586377
5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586378
5-iodo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586379
5-chloro-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586416
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
4-(2-aminocycloheptyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586581
5-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 114676278
5-chloro-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754600
5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979563

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one (CID 114586373) is 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CCCCN2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is BTQCSAGUZTZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-9-10(16)14-7-15-11(9)17-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.33, 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-2-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).