5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine

C10H7FN2O2 — CID 155118873

IUPAC5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine
SMILESC#CCOc1ncc(F)c(OCC#C)n1
InChIInChI=1S/C10H7FN2O2/c1-3-5-14-9-8(11)7-12-10(13-9)15-6-4-2/h1-2,7H,5-6H2
InChIKeyUEJQGOKMPMUMTO-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.64
Rot. Bonds4

About 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine

5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine (PubChem CID 155118873) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine
PubChem CID155118873
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine
SMILESC#CCOc1ncc(F)c(OCC#C)n1
InChIInChI=1S/C10H7FN2O2/c1-3-5-14-9-8(11)7-12-10(13-9)15-6-4-2/h1-2,7H,5-6H2
InChIKeyUEJQGOKMPMUMTO-UHFFFAOYSA-N
XLogP0.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine?
The IUPAC name of 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine (CID 155118873) is 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine?
The canonical SMILES for 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine is C#CCOc1ncc(F)c(OCC#C)n1.
What is the InChIKey of 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine?
The InChIKey is UEJQGOKMPMUMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c1-3-5-14-9-8(11)7-12-10(13-9)15-6-4-2/h1-2,7H,5-6H2.
What are the key properties of 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine?
5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine has a molecular weight of 206.18 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-bis(prop-2-ynoxy)pyrimidine is sourced from PubChem (CID 155118873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).