methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate

C10H11ClFN3O3 — CID 146510219

IUPACmethyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(N2CCOCC2)c1F
InChIInChI=1S/C10H11ClFN3O3/c1-17-9(16)7-6(12)8(14-10(11)13-7)15-2-4-18-5-3-15/h2-5H2,1H3
InChIKeyWNDRRULPOPULST-UHFFFAOYSA-N
MW275.67 g/mol
LogP0.89
Rot. Bonds2

About methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate

methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate (PubChem CID 146510219) has the molecular formula C10H11ClFN3O3 and a molecular weight of 275.67 g/mol. Its IUPAC name is methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate
PubChem CID146510219
Molecular FormulaC10H11ClFN3O3
Molecular Weight275.67 g/mol
Exact Mass275.05
IUPAC Namemethyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(N2CCOCC2)c1F
InChIInChI=1S/C10H11ClFN3O3/c1-17-9(16)7-6(12)8(14-10(11)13-7)15-2-4-18-5-3-15/h2-5H2,1H3
InChIKeyWNDRRULPOPULST-UHFFFAOYSA-N
XLogP0.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate (CID 146510219) is methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate is COC(=O)c1nc(Cl)nc(N2CCOCC2)c1F.
What is the InChIKey of methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate?
The InChIKey is WNDRRULPOPULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O3/c1-17-9(16)7-6(12)8(14-10(11)13-7)15-2-4-18-5-3-15/h2-5H2,1H3.
What are the key properties of methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate?
methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate has a molecular weight of 275.67 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 146510219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).