6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

C12H18ClN3O — CID 114581682

IUPAC6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H18ClN3O/c1-10-14-11(13)9-12(17)16(10)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3
InChIKeyTWQSJKAGNYRCBG-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.69
Rot. Bonds3

About 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114581682) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114581682
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H18ClN3O/c1-10-14-11(13)9-12(17)16(10)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3
InChIKeyTWQSJKAGNYRCBG-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
5-Iodo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66341375
2-Chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83817408
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292
6-Chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913297
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 107913299
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146
6-Chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 113604152
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
6-Chloro-2-ethyl-3-octylpyrimidin-4-one
CID 113604480

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114581682) is 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCN1CCCCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is TWQSJKAGNYRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-10-14-11(13)9-12(17)16(10)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 255.75 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114581682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).