5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C14H10F3N5O — CID 69059021

IUPAC5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(-c3ncco3)cc(C(F)(F)F)c2)c(N)n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-4-7(10-6-21-13(19)22-11(10)18)3-8(5-9)12-20-1-2-23-12/h1-6H,(H4,18,19,21,22)
InChIKeyJKPHXHRQHKJXCW-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.98
Rot. Bonds2

About 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 69059021) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID69059021
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(-c3ncco3)cc(C(F)(F)F)c2)c(N)n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)9-4-7(10-6-21-13(19)22-11(10)18)3-8(5-9)12-20-1-2-23-12/h1-6H,(H4,18,19,21,22)
InChIKeyJKPHXHRQHKJXCW-UHFFFAOYSA-N
XLogP2.98
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 69059021) is 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2cc(-c3ncco3)cc(C(F)(F)F)c2)c(N)n1.
What is the InChIKey of 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is JKPHXHRQHKJXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)9-4-7(10-6-21-13(19)22-11(10)18)3-8(5-9)12-20-1-2-23-12/h1-6H,(H4,18,19,21,22).
What are the key properties of 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 321.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69059021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).