4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine

C11H9Cl2FN4O — CID 164535015

IUPAC4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine
SMILESFc1c(Cl)ncc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C11H9Cl2FN4O/c12-9-7(14)8-6(5-15-9)10(17-11(13)16-8)18-1-3-19-4-2-18/h5H,1-4H2
InChIKeyMWQMNAMPTBVBMB-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.31
Rot. Bonds1

About 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine

4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine (PubChem CID 164535015) has the molecular formula C11H9Cl2FN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine
PubChem CID164535015
Molecular FormulaC11H9Cl2FN4O
Molecular Weight303.12 g/mol
Exact Mass302.01
IUPAC Name4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine
SMILESFc1c(Cl)ncc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C11H9Cl2FN4O/c12-9-7(14)8-6(5-15-9)10(17-11(13)16-8)18-1-3-19-4-2-18/h5H,1-4H2
InChIKeyMWQMNAMPTBVBMB-UHFFFAOYSA-N
XLogP2.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.31
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-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine (CID 164535015) is 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine is Fc1c(Cl)ncc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is MWQMNAMPTBVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4O/c12-9-7(14)8-6(5-15-9)10(17-11(13)16-8)18-1-3-19-4-2-18/h5H,1-4H2.
What are the key properties of 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine?
4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 303.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 164535015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).