5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one

C11H16ClN3O3 — CID 136979799

IUPAC5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(OCCO)CC2)c1Cl
InChIInChI=1S/C11H16ClN3O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyPFWUCPZUQHUXIE-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.40
Rot. Bonds4

About 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979799) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979799
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(OCCO)CC2)c1Cl
InChIInChI=1S/C11H16ClN3O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyPFWUCPZUQHUXIE-UHFFFAOYSA-N
XLogP0.40
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811798
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958054
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958056
4-[4-(2-bromoethoxy)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972063
5-chloro-4-[4-(2-chloroethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972065
5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973330
5-chloro-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978195
4-[4-(3-aminopropoxy)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136978746
5-chloro-4-(3-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979510
5-chloro-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136979516
5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136979789
5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136979794

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136979799) is 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(OCCO)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PFWUCPZUQHUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6H2,(H,13,14,17).
What are the key properties of 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 273.72 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).