2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C11H8F3N3O — CID 62202664

IUPAC2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESNc1ccnc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)10-16-6-5-9(15)17-10/h1-6H,(H2,15,16,17)
InChIKeyVCTFBYBUVYLEHJ-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.62
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 62202664) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID62202664
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESNc1ccnc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)10-16-6-5-9(15)17-10/h1-6H,(H2,15,16,17)
InChIKeyVCTFBYBUVYLEHJ-UHFFFAOYSA-N
XLogP2.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 62202664) is 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Nc1ccnc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is VCTFBYBUVYLEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)10-16-6-5-9(15)17-10/h1-6H,(H2,15,16,17).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 255.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62202664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).