3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile

C11H12Cl2N4O — CID 155687472

IUPAC3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile
SMILESN#CC(Cc1c(Cl)ncnc1Cl)N1CCOCC1
InChIInChI=1S/C11H12Cl2N4O/c12-10-9(11(13)16-7-15-10)5-8(6-14)17-1-3-18-4-2-17/h7-8H,1-5H2
InChIKeyIMLKDOCUHIRDMI-UHFFFAOYSA-N
MW287.15 g/mol
LogP1.55
Rot. Bonds3

About 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile

3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile (PubChem CID 155687472) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile
PubChem CID155687472
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile
SMILESN#CC(Cc1c(Cl)ncnc1Cl)N1CCOCC1
InChIInChI=1S/C11H12Cl2N4O/c12-10-9(11(13)16-7-15-10)5-8(6-14)17-1-3-18-4-2-17/h7-8H,1-5H2
InChIKeyIMLKDOCUHIRDMI-UHFFFAOYSA-N
XLogP1.55
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile?
The IUPAC name of 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile (CID 155687472) is 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile?
The canonical SMILES for 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile is N#CC(Cc1c(Cl)ncnc1Cl)N1CCOCC1.
What is the InChIKey of 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile?
The InChIKey is IMLKDOCUHIRDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c12-10-9(11(13)16-7-15-10)5-8(6-14)17-1-3-18-4-2-17/h7-8H,1-5H2.
What are the key properties of 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile?
3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile has a molecular weight of 287.15 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloropyrimidin-5-yl)-2-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 155687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).