4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine

C12H10F3N3O — CID 66995828

IUPAC4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)C(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C12H10F3N3O/c13-10(14)11(15)19-8-6-17-12(16)18-9(8)7-4-2-1-3-5-7/h1-6,10-11H,(H2,16,17,18)
InChIKeyVUABACPYUVXMEA-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.67
Rot. Bonds4

About 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine

4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 66995828) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID66995828
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)C(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C12H10F3N3O/c13-10(14)11(15)19-8-6-17-12(16)18-9(8)7-4-2-1-3-5-7/h1-6,10-11H,(H2,16,17,18)
InChIKeyVUABACPYUVXMEA-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 66995828) is 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1ncc(OC(F)C(F)F)c(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is VUABACPYUVXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-10(14)11(15)19-8-6-17-12(16)18-9(8)7-4-2-1-3-5-7/h1-6,10-11H,(H2,16,17,18).
What are the key properties of 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 269.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(1,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 66995828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).