N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

C10H13F4N3O — CID 80868716

IUPACN,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C10H13F4N3O/c1-5-7(15-3)16-6(2)17-8(5)18-4-10(13,14)9(11)12/h9H,4H2,1-3H3,(H,15,16,17)
InChIKeyLMUABPQGRXFXLJ-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.41
Rot. Bonds5

About N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80868716) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80868716
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C10H13F4N3O/c1-5-7(15-3)16-6(2)17-8(5)18-4-10(13,14)9(11)12/h9H,4H2,1-3H3,(H,15,16,17)
InChIKeyLMUABPQGRXFXLJ-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.41
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 N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80868716) is N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CNc1nc(C)nc(OCC(F)(F)C(F)F)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is LMUABPQGRXFXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-5-7(15-3)16-6(2)17-8(5)18-4-10(13,14)9(11)12/h9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 267.23 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80868716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).