5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136989959

IUPAC5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCOC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-2-17-8-4-3-5-15(6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyQKFARTSMJRIZCW-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.43
Rot. Bonds3

About 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136989959) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136989959
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCOC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-2-17-8-4-3-5-15(6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyQKFARTSMJRIZCW-UHFFFAOYSA-N
XLogP1.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989957
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973289
5-chloro-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977969
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
5-chloro-4-[3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978058
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009591
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 137012740

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136989959) is 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one is CCOC1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QKFARTSMJRIZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-17-8-4-3-5-15(6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136989959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).