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

C15H24F3N3 — CID 79959320

IUPAC3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CCC(F)(F)F)nc(C)c1CCCNC(C)C
InChIInChI=1S/C15H24F3N3/c1-10(2)19-9-5-6-13-11(3)20-14(21-12(13)4)7-8-15(16,17)18/h10,19H,5-9H2,1-4H3
InChIKeyIXNSNYVJQDDRCV-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.52
Rot. Bonds7

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

3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 79959320) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
PubChem CID79959320
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CCC(F)(F)F)nc(C)c1CCCNC(C)C
InChIInChI=1S/C15H24F3N3/c1-10(2)19-9-5-6-13-11(3)20-14(21-12(13)4)7-8-15(16,17)18/h10,19H,5-9H2,1-4H3
InChIKeyIXNSNYVJQDDRCV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine (CID 79959320) is 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is Cc1nc(CCC(F)(F)F)nc(C)c1CCCNC(C)C.
What is the InChIKey of 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is IXNSNYVJQDDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-10(2)19-9-5-6-13-11(3)20-14(21-12(13)4)7-8-15(16,17)18/h10,19H,5-9H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine?
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79959320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).