5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide

C9H10FIN4O2 — CID 130197461

IUPAC5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
SMILESO=C(NI)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C9H10FIN4O2/c10-6-5-12-7(9(16)14-11)13-8(6)15-1-3-17-4-2-15/h5H,1-4H2,(H,14,16)
InChIKeyRNLQQUOKAGJVIO-UHFFFAOYSA-N
MW352.11 g/mol
LogP0.53
Rot. Bonds2

About 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide

5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide (PubChem CID 130197461) has the molecular formula C9H10FIN4O2 and a molecular weight of 352.11 g/mol. Its IUPAC name is 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
PubChem CID130197461
Molecular FormulaC9H10FIN4O2
Molecular Weight352.11 g/mol
Exact Mass351.98
IUPAC Name5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
SMILESO=C(NI)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C9H10FIN4O2/c10-6-5-12-7(9(16)14-11)13-8(6)15-1-3-17-4-2-15/h5H,1-4H2,(H,14,16)
InChIKeyRNLQQUOKAGJVIO-UHFFFAOYSA-N
XLogP0.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide?
The IUPAC name of 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide (CID 130197461) is 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide is O=C(NI)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide?
The InChIKey is RNLQQUOKAGJVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIN4O2/c10-6-5-12-7(9(16)14-11)13-8(6)15-1-3-17-4-2-15/h5H,1-4H2,(H,14,16).
What are the key properties of 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide?
5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide has a molecular weight of 352.11 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 130197461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).