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

C11H10Cl2N4O — CID 53488053

IUPAC4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine
SMILESClc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-7-9(15-8)10(16-11(13)14-7)17-3-5-18-6-4-17/h1-2H,3-6H2
InChIKeyNPEFYIBXUDYJPV-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.17
Rot. Bonds1

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

4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 53488053) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID53488053
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine
SMILESClc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-7-9(15-8)10(16-11(13)14-7)17-3-5-18-6-4-17/h1-2H,3-6H2
InChIKeyNPEFYIBXUDYJPV-UHFFFAOYSA-N
XLogP2.17
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine (CID 53488053) is 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine is Clc1ccc2nc(Cl)nc(N3CCOCC3)c2n1.
What is the InChIKey of 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is NPEFYIBXUDYJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-2-1-7-9(15-8)10(16-11(13)14-7)17-3-5-18-6-4-17/h1-2H,3-6H2.
What are the key properties of 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine?
4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 285.13 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloropyrido[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 53488053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).