2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine

C15H24F3N3 — CID 79959528

IUPAC2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C15H24F3N3/c1-5-8-19-9-10(2)14-11(3)20-13(21-12(14)4)6-7-15(16,17)18/h10,19H,5-9H2,1-4H3
InChIKeyNWCHVSAQICFXRB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.69
Rot. Bonds7

About 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine

2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine (PubChem CID 79959528) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine
PubChem CID79959528
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C15H24F3N3/c1-5-8-19-9-10(2)14-11(3)20-13(21-12(14)4)6-7-15(16,17)18/h10,19H,5-9H2,1-4H3
InChIKeyNWCHVSAQICFXRB-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine (CID 79959528) is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine is CCCNCC(C)c1c(C)nc(CCC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine?
The InChIKey is NWCHVSAQICFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-5-8-19-9-10(2)14-11(3)20-13(21-12(14)4)6-7-15(16,17)18/h10,19H,5-9H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine?
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 79959528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).