N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C14H18F4N4O3 — CID 70738457

IUPACN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H18F4N4O3/c15-13(16)14(17,18)8-25-7-12(23)19-6-10-5-11(21-9-20-10)22-1-3-24-4-2-22/h5,9,13H,1-4,6-8H2,(H,19,23)
InChIKeyGZQNRDJFBSJGHW-UHFFFAOYSA-N
MW366.32 g/mol
LogP0.85
Rot. Bonds8

About N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 70738457) has the molecular formula C14H18F4N4O3 and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID70738457
Molecular FormulaC14H18F4N4O3
Molecular Weight366.32 g/mol
Exact Mass366.13
IUPAC NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H18F4N4O3/c15-13(16)14(17,18)8-25-7-12(23)19-6-10-5-11(21-9-20-10)22-1-3-24-4-2-22/h5,9,13H,1-4,6-8H2,(H,19,23)
InChIKeyGZQNRDJFBSJGHW-UHFFFAOYSA-N
XLogP0.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 70738457) is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)NCc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is GZQNRDJFBSJGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N4O3/c15-13(16)14(17,18)8-25-7-12(23)19-6-10-5-11(21-9-20-10)22-1-3-24-4-2-22/h5,9,13H,1-4,6-8H2,(H,19,23).
What are the key properties of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 366.32 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 70738457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).