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

C11H16ClN3O — CID 114581830

IUPAC6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCN1CCCC1
InChIInChI=1S/C11H16ClN3O/c1-9-13-10(12)8-11(16)15(9)7-6-14-4-2-3-5-14/h8H,2-7H2,1H3
InChIKeyYAJUEAQENFKGFC-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.30
Rot. Bonds3

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

6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114581830) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114581830
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCN1CCCC1
InChIInChI=1S/C11H16ClN3O/c1-9-13-10(12)8-11(16)15(9)7-6-14-4-2-3-5-14/h8H,2-7H2,1H3
InChIKeyYAJUEAQENFKGFC-UHFFFAOYSA-N
XLogP1.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
2-Chloro-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 83816236
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 113604152
6-Chloro-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 113604486
6-Chloro-2-ethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604492
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604591
6-Chloro-3-[2-(diethylamino)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 113604599
6-Chloro-2-methyl-3-(2-methylbutyl)pyrimidin-4-one
CID 114581593

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114581830) is 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCN1CCCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is YAJUEAQENFKGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-9-13-10(12)8-11(16)15(9)7-6-14-4-2-3-5-14/h8H,2-7H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 1.30, 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-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114581830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).