6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine

C19H14F3N7O2 — CID 11510220

IUPAC6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1
InChIInChI=1S/C19H14F3N7O2/c20-19(21,22)11-2-1-3-12(8-11)25-18-29-28-16(31-18)10-4-6-13(7-5-10)30-15-9-14(23)26-17(24)27-15/h1-9H,(H,25,29)(H4,23,24,26,27)
InChIKeyYUYOVGDKROGMSD-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.25
Rot. Bonds5

About 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine

6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine (PubChem CID 11510220) has the molecular formula C19H14F3N7O2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
PubChem CID11510220
Molecular FormulaC19H14F3N7O2
Molecular Weight429.36 g/mol
Exact Mass429.12
IUPAC Name6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1
InChIInChI=1S/C19H14F3N7O2/c20-19(21,22)11-2-1-3-12(8-11)25-18-29-28-16(31-18)10-4-6-13(7-5-10)30-15-9-14(23)26-17(24)27-15/h1-9H,(H,25,29)(H4,23,24,26,27)
InChIKeyYUYOVGDKROGMSD-UHFFFAOYSA-N
XLogP4.25
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134150104
2-[4-[2-(Trifluoromethyl)quinazolin-4-yl]oxyphenyl]-1,3,4-oxadiazole
CID 9506329
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 11662010
5-[4-(Pyrimidin-5-yloxy)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 11689838
6-[4-[5-[4-Chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
CID 11691201
5-[4-(2-chloropyridin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53476402
5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53476404
5-[4-(2-aminopyridin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53476407
5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53477435
5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53477436
5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53477437
6-(4-{5-[(2-Chloro-5-trifluoromethyl-phenyl)amino]-1,3,4-oxadiazol-2-yl}phenoxy)pyrimidine-2,4-diamine
CID 59135360

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine (CID 11510220) is 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine is Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1.
What is the InChIKey of 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine?
The InChIKey is YUYOVGDKROGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O2/c20-19(21,22)11-2-1-3-12(8-11)25-18-29-28-16(31-18)10-4-6-13(7-5-10)30-15-9-14(23)26-17(24)27-15/h1-9H,(H,25,29)(H4,23,24,26,27).
What are the key properties of 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine?
6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine has a molecular weight of 429.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 11510220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).