3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine

C10H12F5N3O — CID 178036041

IUPAC3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine
SMILESC[C@@H](Oc1cc(C(N)CC(F)F)ncn1)C(F)(F)F
InChIInChI=1S/C10H12F5N3O/c1-5(10(13,14)15)19-9-3-7(17-4-18-9)6(16)2-8(11)12/h3-6,8H,2,16H2,1H3/t5-,6?/m1/s1
InChIKeyLUSLKHOPPDOUJA-LWOQYNTDSA-N
MW285.22 g/mol
LogP2.46
Rot. Bonds5

About 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine

3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine (PubChem CID 178036041) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine
PubChem CID178036041
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine
SMILESC[C@@H](Oc1cc(C(N)CC(F)F)ncn1)C(F)(F)F
InChIInChI=1S/C10H12F5N3O/c1-5(10(13,14)15)19-9-3-7(17-4-18-9)6(16)2-8(11)12/h3-6,8H,2,16H2,1H3/t5-,6?/m1/s1
InChIKeyLUSLKHOPPDOUJA-LWOQYNTDSA-N
XLogP2.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-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 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine?
The IUPAC name of 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine (CID 178036041) is 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine.
What is the SMILES notation for 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine?
The canonical SMILES for 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine is C[C@@H](Oc1cc(C(N)CC(F)F)ncn1)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine?
The InChIKey is LUSLKHOPPDOUJA-LWOQYNTDSA-N. The full InChI is InChI=1S/C10H12F5N3O/c1-5(10(13,14)15)19-9-3-7(17-4-18-9)6(16)2-8(11)12/h3-6,8H,2,16H2,1H3/t5-,6?/m1/s1.
What are the key properties of 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine?
3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine has a molecular weight of 285.22 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine is sourced from PubChem (CID 178036041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).