5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one

C11H9Cl2N3O — CID 114583127

IUPAC5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCc1ccncc1
InChIInChI=1S/C11H9Cl2N3O/c12-9-10(13)15-7-16(11(9)17)6-3-8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2
InChIKeyZPXDUYSFTKDLTL-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.19
Rot. Bonds3

About 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one

5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one (PubChem CID 114583127) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
PubChem CID114583127
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCc1ccncc1
InChIInChI=1S/C11H9Cl2N3O/c12-9-10(13)15-7-16(11(9)17)6-3-8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2
InChIKeyZPXDUYSFTKDLTL-UHFFFAOYSA-N
XLogP2.19
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dichloro-3-(2-pyridin-4-ylethyl)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

5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975
5-iodo-6-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 66341783
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102858179

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one (CID 114583127) is 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCc1ccncc1.
What is the InChIKey of 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
The InChIKey is ZPXDUYSFTKDLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-9-10(13)15-7-16(11(9)17)6-3-8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2.
What are the key properties of 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one has a molecular weight of 270.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).