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

C10H13FN4O2 — CID 170126080

IUPAC5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C10H13FN4O2/c1-12-10(16)8-13-6-7(11)9(14-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,16)
InChIKeyHKMCGLBQMVOUOD-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.19
Rot. Bonds2

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

5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide (PubChem CID 170126080) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide
PubChem CID170126080
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide
SMILESCNC(=O)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C10H13FN4O2/c1-12-10(16)8-13-6-7(11)9(14-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,16)
InChIKeyHKMCGLBQMVOUOD-UHFFFAOYSA-N
XLogP-0.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide (CID 170126080) is 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide is CNC(=O)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide?
The InChIKey is HKMCGLBQMVOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-12-10(16)8-13-6-7(11)9(14-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,16).
What are the key properties of 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide?
5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide has a molecular weight of 240.24 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-morpholin-4-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 170126080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).