3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine

C11H14F3N3 — CID 86716315

IUPAC3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
SMILESNCC(CC1CC1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-16-5-9(6-17-10)8(4-15)3-7-1-2-7/h5-8H,1-4,15H2
InChIKeyXNAHBZICUIMJNE-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.34
Rot. Bonds4

About 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine

3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine (PubChem CID 86716315) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
PubChem CID86716315
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
SMILESNCC(CC1CC1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-16-5-9(6-17-10)8(4-15)3-7-1-2-7/h5-8H,1-4,15H2
InChIKeyXNAHBZICUIMJNE-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine (CID 86716315) is 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine is NCC(CC1CC1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is XNAHBZICUIMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)10-16-5-9(6-17-10)8(4-15)3-7-1-2-7/h5-8H,1-4,15H2.
What are the key properties of 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 245.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 86716315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).