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

C15H22ClN3O — CID 107913298

IUPAC6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C15H22ClN3O/c1-18-8-3-2-4-12(18)7-9-19-14(20)10-13(16)17-15(19)11-5-6-11/h10-12H,2-9H2,1H3
InChIKeyMJVNAFOWGORXQF-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.65
Rot. Bonds4

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

6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913298) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913298
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C15H22ClN3O/c1-18-8-3-2-4-12(18)7-9-19-14(20)10-13(16)17-15(19)11-5-6-11/h10-12H,2-9H2,1H3
InChIKeyMJVNAFOWGORXQF-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-chloro-1H-pyrimidin-6-one
CID 169021906
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
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-3-(cyclohexylmethyl)-2-cyclopropylpyrimidin-4-one
CID 113604577
6-Chloro-3-octyl-2-propan-2-ylpyrimidin-4-one
CID 113604590
6-Chloro-3-heptyl-2-propan-2-ylpyrimidin-4-one
CID 113604609
6-Chloro-3-(cyclohexylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604628
6-Chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one
CID 114192360
6-Chloro-2-methyl-3-(3-methylcyclohexyl)pyrimidin-4-one
CID 114581802
6-Chloro-2-methyl-3-(4-methylcyclohexyl)pyrimidin-4-one
CID 114581864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913298) is 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is MJVNAFOWGORXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-18-8-3-2-4-12(18)7-9-19-14(20)10-13(16)17-15(19)11-5-6-11/h10-12H,2-9H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 295.81 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).