4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine

C11H11ClN4O — CID 71407698

IUPAC4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
SMILESClc1ccc2ncnc(N3CCOCC3)c2n1
InChIInChI=1S/C11H11ClN4O/c12-9-2-1-8-10(15-9)11(14-7-13-8)16-3-5-17-6-4-16/h1-2,7H,3-6H2
InChIKeySQKRRUQGYHVXLM-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.51
Rot. Bonds1

About 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine

4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 71407698) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID71407698
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
SMILESClc1ccc2ncnc(N3CCOCC3)c2n1
InChIInChI=1S/C11H11ClN4O/c12-9-2-1-8-10(15-9)11(14-7-13-8)16-3-5-17-6-4-16/h1-2,7H,3-6H2
InChIKeySQKRRUQGYHVXLM-UHFFFAOYSA-N
XLogP1.51
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6-chloropyrido[3,2-d]pyrimidin-4-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-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine (CID 71407698) is 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine is Clc1ccc2ncnc(N3CCOCC3)c2n1.
What is the InChIKey of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is SQKRRUQGYHVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-2-1-8-10(15-9)11(14-7-13-8)16-3-5-17-6-4-16/h1-2,7H,3-6H2.
What are the key properties of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 250.69 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 71407698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).