4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine

C11H9F3N4O — CID 79915945

IUPAC4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)19-8-3-1-2-7(4-8)18-10-9(15)5-16-6-17-10/h1-6H,15H2,(H,16,17,18)
InChIKeyUUWIGFNYYNNLEW-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.70
Rot. Bonds3

About 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine

4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine (PubChem CID 79915945) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
PubChem CID79915945
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)19-8-3-1-2-7(4-8)18-10-9(15)5-16-6-17-10/h1-6H,15H2,(H,16,17,18)
InChIKeyUUWIGFNYYNNLEW-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine (CID 79915945) is 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine is Nc1cncnc1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
The InChIKey is UUWIGFNYYNNLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)19-8-3-1-2-7(4-8)18-10-9(15)5-16-6-17-10/h1-6H,15H2,(H,16,17,18).
What are the key properties of 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine?
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine has a molecular weight of 270.21 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 79915945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).