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

C13H20ClN3O — CID 107913292

IUPAC6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC1CCCCN1C
InChIInChI=1S/C13H20ClN3O/c1-10-15-12(14)9-13(18)17(10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3
InChIKeyIDOLBKJRGRLGDZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.08
Rot. Bonds3

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

6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913292) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913292
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC1CCCCN1C
InChIInChI=1S/C13H20ClN3O/c1-10-15-12(14)9-13(18)17(10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3
InChIKeyIDOLBKJRGRLGDZ-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.08
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
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
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
5-Iodo-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913282
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913292) is 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCC1CCCCN1C.
What is the InChIKey of 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is IDOLBKJRGRLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10-15-12(14)9-13(18)17(10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
6-chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 269.78 g/mol, XLogP of 2.08, 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-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).