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

C14H22ClN3O — CID 107913297

IUPAC6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCC1CCCCN1C
InChIInChI=1S/C14H22ClN3O/c1-3-13-16-12(15)10-14(19)18(13)9-7-11-6-4-5-8-17(11)2/h10-11H,3-9H2,1-2H3
InChIKeyRFDNJHSUYSBSGB-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.33
Rot. Bonds4

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

6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913297) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913297
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCC1CCCCN1C
InChIInChI=1S/C14H22ClN3O/c1-3-13-16-12(15)10-14(19)18(13)9-7-11-6-4-5-8-17(11)2/h10-11H,3-9H2,1-2H3
InChIKeyRFDNJHSUYSBSGB-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
3-(1,2-Dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one
CID 134211371
2-[(6S)-1-acetyl-6-methylpiperidin-3-yl]-4-chloro-1H-pyrimidin-6-one
CID 169021906
1,6-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
CID 214564
(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12823305
(R)-6-Methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12823306
2-Chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83817408
2-Amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875161
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-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
6-Chloro-2-cyclopropyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913298

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913297) is 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCC1CCCCN1C.
What is the InChIKey of 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is RFDNJHSUYSBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-13-16-12(15)10-14(19)18(13)9-7-11-6-4-5-8-17(11)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 283.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).