6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

C10H13F4N3 — CID 106293653

IUPAC6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESCC(C)c1cc(NCC(F)(F)C(F)F)ncn1
InChIInChI=1S/C10H13F4N3/c1-6(2)7-3-8(17-5-16-7)15-4-10(13,14)9(11)12/h3,5-6,9H,4H2,1-2H3,(H,15,16,17)
InChIKeyGFSCRYNZEBNIJR-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.91
Rot. Bonds5

About 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine

6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (PubChem CID 106293653) has the molecular formula C10H13F4N3 and a molecular weight of 251.23 g/mol. Its IUPAC name is 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
PubChem CID106293653
Molecular FormulaC10H13F4N3
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
SMILESCC(C)c1cc(NCC(F)(F)C(F)F)ncn1
InChIInChI=1S/C10H13F4N3/c1-6(2)7-3-8(17-5-16-7)15-4-10(13,14)9(11)12/h3,5-6,9H,4H2,1-2H3,(H,15,16,17)
InChIKeyGFSCRYNZEBNIJR-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)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 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine (CID 106293653) is 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is CC(C)c1cc(NCC(F)(F)C(F)F)ncn1.
What is the InChIKey of 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
The InChIKey is GFSCRYNZEBNIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3/c1-6(2)7-3-8(17-5-16-7)15-4-10(13,14)9(11)12/h3,5-6,9H,4H2,1-2H3,(H,15,16,17).
What are the key properties of 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine?
6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine has a molecular weight of 251.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 106293653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).