4-(4-chloropyrimidin-2-yl)morpholine

C8H10ClN3O — CID 824643

IUPAC4-(4-chloropyrimidin-2-yl)morpholine
SMILESClc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C8H10ClN3O/c9-7-1-2-10-8(11-7)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKeyJORDJRAQJPQYLB-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.97
Rot. Bonds1

About 4-(4-chloropyrimidin-2-yl)morpholine

4-(4-chloropyrimidin-2-yl)morpholine (PubChem CID 824643) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-(4-chloropyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloropyrimidin-2-yl)morpholine
PubChem CID824643
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name4-(4-chloropyrimidin-2-yl)morpholine
SMILESClc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C8H10ClN3O/c9-7-1-2-10-8(11-7)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKeyJORDJRAQJPQYLB-UHFFFAOYSA-N
XLogP0.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloropyrimidin-2-yl)morpholine 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 4-(4-chloropyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-chloropyrimidin-2-yl)morpholine (CID 824643) is 4-(4-chloropyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloropyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloropyrimidin-2-yl)morpholine is Clc1ccnc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloropyrimidin-2-yl)morpholine?
The InChIKey is JORDJRAQJPQYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-7-1-2-10-8(11-7)12-3-5-13-6-4-12/h1-2H,3-6H2.
What are the key properties of 4-(4-chloropyrimidin-2-yl)morpholine?
4-(4-chloropyrimidin-2-yl)morpholine has a molecular weight of 199.64 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrimidin-2-yl)morpholine is sourced from PubChem (CID 824643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).