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

C12H16ClN3O2 — CID 114581659

IUPAC6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N1CCCCC1
InChIInChI=1S/C12H16ClN3O2/c1-9-14-10(13)7-11(17)16(9)8-12(18)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3
InChIKeyXNDSBMHAPAICTN-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.22
Rot. Bonds2

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

6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114581659) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114581659
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N1CCCCC1
InChIInChI=1S/C12H16ClN3O2/c1-9-14-10(13)7-11(17)16(9)8-12(18)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3
InChIKeyXNDSBMHAPAICTN-UHFFFAOYSA-N
XLogP1.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.22
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
6-Chloro-3-(2-oxopropyl)-2-pentylpyrimidin-4-one
CID 129197975
5-Iodo-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66340483
2-Chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83817408
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292
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
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
6-Chloro-2-ethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604492
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 113604568
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 113604571

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114581659) is 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(=O)N1CCCCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is XNDSBMHAPAICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-9-14-10(13)7-11(17)16(9)8-12(18)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 269.73 g/mol, XLogP of 1.22, 2 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-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114581659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).