4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine

C14H14ClFN4O2 — CID 74250911

IUPAC4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine
SMILESCOc1cc(-c2ncc(F)c(N3CCOCC3)n2)c(Cl)cn1
InChIInChI=1S/C14H14ClFN4O2/c1-21-12-6-9(10(15)7-17-12)13-18-8-11(16)14(19-13)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3
InChIKeyMGFUJWRTXQGJAT-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.18
Rot. Bonds3

About 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine

4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 74250911) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine
PubChem CID74250911
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC Name4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine
SMILESCOc1cc(-c2ncc(F)c(N3CCOCC3)n2)c(Cl)cn1
InChIInChI=1S/C14H14ClFN4O2/c1-21-12-6-9(10(15)7-17-12)13-18-8-11(16)14(19-13)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3
InChIKeyMGFUJWRTXQGJAT-UHFFFAOYSA-N
XLogP2.18
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine (CID 74250911) is 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine is COc1cc(-c2ncc(F)c(N3CCOCC3)n2)c(Cl)cn1.
What is the InChIKey of 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is MGFUJWRTXQGJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c1-21-12-6-9(10(15)7-17-12)13-18-8-11(16)14(19-13)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3.
What are the key properties of 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine?
4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 324.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methoxy-4-pyridinyl)-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 74250911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).