furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

C15H14F3N3O4 — CID 2808251

IUPACfuran-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESO=C(OCc1ccco1)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)12-11(13(22)25-9-10-2-1-5-24-10)8-19-14(20-12)21-3-6-23-7-4-21/h1-2,5,8H,3-4,6-7,9H2
InChIKeyDQOAOPQIFCPQRA-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.28
Rot. Bonds4

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

furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 2808251) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID2808251
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Namefuran-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESO=C(OCc1ccco1)c1cnc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)12-11(13(22)25-9-10-2-1-5-24-10)8-19-14(20-12)21-3-6-23-7-4-21/h1-2,5,8H,3-4,6-7,9H2
InChIKeyDQOAOPQIFCPQRA-UHFFFAOYSA-N
XLogP2.28
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate (CID 2808251) is furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is O=C(OCc1ccco1)c1cnc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is DQOAOPQIFCPQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c16-15(17,18)12-11(13(22)25-9-10-2-1-5-24-10)8-19-14(20-12)21-3-6-23-7-4-21/h1-2,5,8H,3-4,6-7,9H2.
What are the key properties of furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate?
furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 357.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 2808251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).