methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate

C10H12FN3O3 — CID 104775170

IUPACmethyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O3/c1-16-9(15)8-6-17-3-2-14(8)10-12-4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3
InChIKeyGAZBHKHOQJSLMS-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.01
Rot. Bonds2

About methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate

methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate (PubChem CID 104775170) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
PubChem CID104775170
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O3/c1-16-9(15)8-6-17-3-2-14(8)10-12-4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3
InChIKeyGAZBHKHOQJSLMS-UHFFFAOYSA-N
XLogP-0.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
CID 104775209
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 104775304
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
methyl 4-(2-carbamothioyl-4-fluorophenyl)morpholine-3-carboxylate
CID 104774669
methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
CID 113451826
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
methyl 4-(4-cyano-3-fluorophenyl)morpholine-3-carboxylate
CID 104774602

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate (CID 104775170) is methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1ncc(F)cn1.
What is the InChIKey of methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate?
The InChIKey is GAZBHKHOQJSLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-16-9(15)8-6-17-3-2-14(8)10-12-4-7(11)5-13-10/h4-5,8H,2-3,6H2,1H3.
What are the key properties of methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate?
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate has a molecular weight of 241.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate is sourced from PubChem (CID 104775170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).