2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine

C13H19F4N3O — CID 83185587

IUPAC2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(OCC(F)(F)C(F)F)ncc1CNC(C)(C)C
InChIInChI=1S/C13H19F4N3O/c1-8-9(6-19-12(2,3)4)5-18-11(20-8)21-7-13(16,17)10(14)15/h5,10,19H,6-7H2,1-4H3
InChIKeyZJLAAFROKNWVQX-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.95
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83185587) has the molecular formula C13H19F4N3O and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83185587
Molecular FormulaC13H19F4N3O
Molecular Weight309.31 g/mol
Exact Mass309.15
IUPAC Name2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(OCC(F)(F)C(F)F)ncc1CNC(C)(C)C
InChIInChI=1S/C13H19F4N3O/c1-8-9(6-19-12(2,3)4)5-18-11(20-8)21-7-13(16,17)10(14)15/h5,10,19H,6-7H2,1-4H3
InChIKeyZJLAAFROKNWVQX-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.95
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-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine (CID 83185587) is 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(OCC(F)(F)C(F)F)ncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is ZJLAAFROKNWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4N3O/c1-8-9(6-19-12(2,3)4)5-18-11(20-8)21-7-13(16,17)10(14)15/h5,10,19H,6-7H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 309.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83185587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).