5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C9H12F3N3O — CID 80858733

IUPAC5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-2-3-6-7(13)14-5-15-8(6)16-4-9(10,11)12/h5H,2-4H2,1H3,(H2,13,14,15)
InChIKeyAFLVUEYTXBQFTM-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.95
Rot. Bonds4

About 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80858733) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80858733
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-2-3-6-7(13)14-5-15-8(6)16-4-9(10,11)12/h5H,2-4H2,1H3,(H2,13,14,15)
InChIKeyAFLVUEYTXBQFTM-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80858733) is 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCc1c(N)ncnc1OCC(F)(F)F.
What is the InChIKey of 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is AFLVUEYTXBQFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-3-6-7(13)14-5-15-8(6)16-4-9(10,11)12/h5H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80858733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).