3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C22H17F4N5O3 — CID 165167126

IUPAC3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCc1cc(N2C(=O)CN(c3cc(C(F)(F)F)ccc3F)C2=O)ccc1Oc1ccnc(N)n1
InChIInChI=1S/C22H17F4N5O3/c1-2-12-9-14(4-6-17(12)34-18-7-8-28-20(27)29-18)31-19(32)11-30(21(31)33)16-10-13(22(24,25)26)3-5-15(16)23/h3-10H,2,11H2,1H3,(H2,27,28,29)
InChIKeyJMQUVVHNGSFXTQ-UHFFFAOYSA-N
MW475.40 g/mol
LogP4.54
Rot. Bonds5

About 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 165167126) has the molecular formula C22H17F4N5O3 and a molecular weight of 475.40 g/mol. Its IUPAC name is 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID165167126
Molecular FormulaC22H17F4N5O3
Molecular Weight475.40 g/mol
Exact Mass475.13
IUPAC Name3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCc1cc(N2C(=O)CN(c3cc(C(F)(F)F)ccc3F)C2=O)ccc1Oc1ccnc(N)n1
InChIInChI=1S/C22H17F4N5O3/c1-2-12-9-14(4-6-17(12)34-18-7-8-28-20(27)29-18)31-19(32)11-30(21(31)33)16-10-13(22(24,25)26)3-5-15(16)23/h3-10H,2,11H2,1H3,(H2,27,28,29)
InChIKeyJMQUVVHNGSFXTQ-UHFFFAOYSA-N
XLogP4.54
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 165167126) is 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CCc1cc(N2C(=O)CN(c3cc(C(F)(F)F)ccc3F)C2=O)ccc1Oc1ccnc(N)n1.
What is the InChIKey of 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is JMQUVVHNGSFXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O3/c1-2-12-9-14(4-6-17(12)34-18-7-8-28-20(27)29-18)31-19(32)11-30(21(31)33)16-10-13(22(24,25)26)3-5-15(16)23/h3-10H,2,11H2,1H3,(H2,27,28,29).
What are the key properties of 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 475.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopyrimidin-4-yl)oxy-3-ethylphenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).