prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate

C15H13F2N3O3 — CID 118311806

IUPACprop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
SMILESC=C(C)OC(=O)Nc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C15H13F2N3O3/c1-9(2)23-15(21)20-13-12(17)7-18-14(19-13)22-8-10-3-5-11(16)6-4-10/h3-7H,1,8H2,2H3,(H,18,19,20,21)
InChIKeyGZMIYRLMYSNUKY-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.42
Rot. Bonds5

About prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate

prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate (PubChem CID 118311806) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
PubChem CID118311806
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Nameprop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
SMILESC=C(C)OC(=O)Nc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C15H13F2N3O3/c1-9(2)23-15(21)20-13-12(17)7-18-14(19-13)22-8-10-3-5-11(16)6-4-10/h3-7H,1,8H2,2H3,(H,18,19,20,21)
InChIKeyGZMIYRLMYSNUKY-UHFFFAOYSA-N
XLogP3.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate (CID 118311806) is prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate is C=C(C)OC(=O)Nc1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
The InChIKey is GZMIYRLMYSNUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-9(2)23-15(21)20-13-12(17)7-18-14(19-13)22-8-10-3-5-11(16)6-4-10/h3-7H,1,8H2,2H3,(H,18,19,20,21).
What are the key properties of prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate has a molecular weight of 321.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 118311806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).