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

C12H17F4N3O — CID 80868961

IUPAC2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C12H17F4N3O/c1-4-5-17-9-7(2)10(19-8(3)18-9)20-6-12(15,16)11(13)14/h11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyNUDUQWGRPVYQDT-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.19
Rot. Bonds7

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

2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80868961) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80868961
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C12H17F4N3O/c1-4-5-17-9-7(2)10(19-8(3)18-9)20-6-12(15,16)11(13)14/h11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyNUDUQWGRPVYQDT-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.19
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 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80868961) is 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCCNc1nc(C)nc(OCC(F)(F)C(F)F)c1C.
What is the InChIKey of 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is NUDUQWGRPVYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-4-5-17-9-7(2)10(19-8(3)18-9)20-6-12(15,16)11(13)14/h11H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 295.28 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80868961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).