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

C10H14ClN3O — CID 114582259

IUPAC6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCN1CCCC1
InChIInChI=1S/C10H14ClN3O/c11-9-7-10(15)14(8-12-9)6-5-13-3-1-2-4-13/h7-8H,1-6H2
InChIKeyPWISZZLFYNPUFB-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.99
Rot. Bonds3

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

6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582259) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582259
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCN1CCCC1
InChIInChI=1S/C10H14ClN3O/c11-9-7-10(15)14(8-12-9)6-5-13-3-1-2-4-13/h7-8H,1-6H2
InChIKeyPWISZZLFYNPUFB-UHFFFAOYSA-N
XLogP0.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582148
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114581608
6-Chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114581641
6-Chloro-2-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114581830
6-Chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582021
6-Chloro-3-pentylpyrimidin-4-one
CID 114582032
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582035
6-Chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582067
4-(4-Chloro-6-oxopyrimidin-1-yl)butanenitrile
CID 114582091
6-Chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582101
6-Chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582110

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114582259) is 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCN1CCCC1.
What is the InChIKey of 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is PWISZZLFYNPUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-7-10(15)14(8-12-9)6-5-13-3-1-2-4-13/h7-8H,1-6H2.
What are the key properties of 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 227.69 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).