methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

C11H12F3N3O3 — CID 2808130

IUPACmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O3/c1-19-9(18)7-6-15-10(16-8(7)11(12,13)14)17-2-4-20-5-3-17/h6H,2-5H2,1H3
InChIKeyRKAGJOMCTACHQX-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 2808130) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID2808130
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Namemethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O3/c1-19-9(18)7-6-15-10(16-8(7)11(12,13)14)17-2-4-20-5-3-17/h6H,2-5H2,1H3
InChIKeyRKAGJOMCTACHQX-UHFFFAOYSA-N
XLogP1.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 2808130) is methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is RKAGJOMCTACHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-19-9(18)7-6-15-10(16-8(7)11(12,13)14)17-2-4-20-5-3-17/h6H,2-5H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 291.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 2808130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).