5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

C10H14F3N3O — CID 82958852

IUPAC5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1OCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-8(14)15-5-16-9(7)17-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyFJIVILHWVLWOIF-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.51
Rot. Bonds4

About 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (PubChem CID 82958852) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
PubChem CID82958852
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1OCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-8(14)15-5-16-9(7)17-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyFJIVILHWVLWOIF-UHFFFAOYSA-N
XLogP2.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (CID 82958852) is 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is CC(C)c1c(N)ncnc1OCCC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The InChIKey is FJIVILHWVLWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)7-8(14)15-5-16-9(7)17-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).