6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one

C11H16ClN3O — CID 114582067

IUPAC6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCN1CCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-8-11(16)15(9-13-10)7-3-6-14-4-1-2-5-14/h8-9H,1-7H2
InChIKeyVPPFHWYABAMQRK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.38
Rot. Bonds4

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

6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one (PubChem CID 114582067) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
PubChem CID114582067
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCN1CCCC1
InChIInChI=1S/C11H16ClN3O/c12-10-8-11(16)15(9-13-10)7-3-6-14-4-1-2-5-14/h8-9H,1-7H2
InChIKeyVPPFHWYABAMQRK-UHFFFAOYSA-N
XLogP1.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 113604486
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-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
CID 114581993
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
4-(4-Chloro-6-oxopyrimidin-1-yl)butanenitrile
CID 114582091
6-Chloro-3-cyclopentylpyrimidin-4-one
CID 114582119
6-Chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582159

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one (CID 114582067) is 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCCN1CCCC1.
What is the InChIKey of 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The InChIKey is VPPFHWYABAMQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-8-11(16)15(9-13-10)7-3-6-14-4-1-2-5-14/h8-9H,1-7H2.
What are the key properties of 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 114582067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).