2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine

C15H22F3N3O — CID 143219206

IUPAC2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
SMILESCC(C)c1nc(C2CC2)nc(OCCC(F)(F)F)c1CCN
InChIInChI=1S/C15H22F3N3O/c1-9(2)12-11(5-7-19)14(22-8-6-15(16,17)18)21-13(20-12)10-3-4-10/h9-10H,3-8,19H2,1-2H3
InChIKeySDAOQPOXMVOFBK-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds7

About 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine

2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine (PubChem CID 143219206) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
PubChem CID143219206
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
SMILESCC(C)c1nc(C2CC2)nc(OCCC(F)(F)F)c1CCN
InChIInChI=1S/C15H22F3N3O/c1-9(2)12-11(5-7-19)14(22-8-6-15(16,17)18)21-13(20-12)10-3-4-10/h9-10H,3-8,19H2,1-2H3
InChIKeySDAOQPOXMVOFBK-UHFFFAOYSA-N
XLogP3.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine (CID 143219206) is 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine is CC(C)c1nc(C2CC2)nc(OCCC(F)(F)F)c1CCN.
What is the InChIKey of 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is SDAOQPOXMVOFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-9(2)12-11(5-7-19)14(22-8-6-15(16,17)18)21-13(20-12)10-3-4-10/h9-10H,3-8,19H2,1-2H3.
What are the key properties of 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine?
2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 317.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 143219206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).