6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C12H18ClN3O — CID 107913293

IUPAC6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-11(13)8-12(16)17/h8-10H,2-7H2,1H3
InChIKeyALDFQBVNXQFIRF-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.77
Rot. Bonds3

About 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913293) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913293
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-11(13)8-12(16)17/h8-10H,2-7H2,1H3
InChIKeyALDFQBVNXQFIRF-UHFFFAOYSA-N
XLogP1.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
5-Iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913280
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292
5-Amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913294
5,6-Dichloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913295
6-Chloro-5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913296
6-Chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913297
6-Chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913298
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 107913299
3-[2-(1-Methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107914211
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
5-Bromo-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 114015212

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913293) is 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is ALDFQBVNXQFIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-11(13)8-12(16)17/h8-10H,2-7H2,1H3.
What are the key properties of 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 255.75 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).