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

C11H16ClN3O2 — CID 136979563

IUPAC5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCCC2CCO)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(13-7-14-11(9)17)15-5-2-1-3-8(15)4-6-16/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyXRNGGGXDAOXDNX-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds3

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

5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979563) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979563
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCCC2CCO)c1Cl
InChIInChI=1S/C11H16ClN3O2/c12-9-10(13-7-14-11(9)17)15-5-2-1-3-8(15)4-6-16/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyXRNGGGXDAOXDNX-UHFFFAOYSA-N
XLogP1.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136989360
5-chloro-4-(2-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008146
2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 83064794
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
4-(2-ethylpiperidin-1-yl)-5-nitro-1H-pyrimidin-6-one
CID 135817345
5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978
1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
CID 62929202
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136880702
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 137012740
4-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-1H-pyrimidin-6-one
CID 137001460
3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 62685715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136979563) is 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCCCC2CCO)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XRNGGGXDAOXDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-9-10(13-7-14-11(9)17)15-5-2-1-3-8(15)4-6-16/h7-8,16H,1-6H2,(H,13,14,17).
What are the key properties of 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).