5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine

C11H9F3N4O — CID 152606381

IUPAC5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccccc2)c(OC(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)19-9-7(6-4-2-1-3-5-6)8(15)17-10(16)18-9/h1-5H,(H4,15,16,17,18)
InChIKeyYYPIPZAYRIEUQQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.21
Rot. Bonds2

About 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine

5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (PubChem CID 152606381) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
PubChem CID152606381
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccccc2)c(OC(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)19-9-7(6-4-2-1-3-5-6)8(15)17-10(16)18-9/h1-5H,(H4,15,16,17,18)
InChIKeyYYPIPZAYRIEUQQ-UHFFFAOYSA-N
XLogP2.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (CID 152606381) is 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2ccccc2)c(OC(F)(F)F)n1.
What is the InChIKey of 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The InChIKey is YYPIPZAYRIEUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)19-9-7(6-4-2-1-3-5-6)8(15)17-10(16)18-9/h1-5H,(H4,15,16,17,18).
What are the key properties of 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine has a molecular weight of 270.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 152606381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).