2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine

C8H9F4N3O — CID 103473335

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine
SMILESNc1cnc(COCC(F)(F)C(F)F)nc1
InChIInChI=1S/C8H9F4N3O/c9-7(10)8(11,12)4-16-3-6-14-1-5(13)2-15-6/h1-2,7H,3-4,13H2
InChIKeySWSAESFKOPBZLT-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.48
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine

2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine (PubChem CID 103473335) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine
PubChem CID103473335
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine
SMILESNc1cnc(COCC(F)(F)C(F)F)nc1
InChIInChI=1S/C8H9F4N3O/c9-7(10)8(11,12)4-16-3-6-14-1-5(13)2-15-6/h1-2,7H,3-4,13H2
InChIKeySWSAESFKOPBZLT-UHFFFAOYSA-N
XLogP1.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine (CID 103473335) is 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine is Nc1cnc(COCC(F)(F)C(F)F)nc1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine?
The InChIKey is SWSAESFKOPBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c9-7(10)8(11,12)4-16-3-6-14-1-5(13)2-15-6/h1-2,7H,3-4,13H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine?
2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine has a molecular weight of 239.17 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-amine is sourced from PubChem (CID 103473335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).