5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

C11H9F3N4O — CID 22326853

IUPAC5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)c(N)n1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)19-7-3-1-2-6(4-7)8-5-17-10(16)18-9(8)15/h1-5H,(H4,15,16,17,18)
InChIKeyPETCWXJBRFCBAA-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.21
Rot. Bonds2

About 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 22326853) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID22326853
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)c(N)n1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)19-7-3-1-2-6(4-7)8-5-17-10(16)18-9(8)15/h1-5H,(H4,15,16,17,18)
InChIKeyPETCWXJBRFCBAA-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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Related Compounds

4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 68632642
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
CID 22607574
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
CID 133086893
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (CID 22326853) is 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2cccc(OC(F)(F)F)c2)c(N)n1.
What is the InChIKey of 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is PETCWXJBRFCBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)19-7-3-1-2-6(4-7)8-5-17-10(16)18-9(8)15/h1-5H,(H4,15,16,17,18).
What are the key properties of 5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
5-[3-(trifluoromethoxy)phenyl]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-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22326853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).