3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione

C20H15F2N5O4 — CID 165166892

IUPAC3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESNc1ncc(Oc2ccc(N3C(=O)CN(c4cccc(OC(F)F)c4)C3=O)cc2)cn1
InChIInChI=1S/C20H15F2N5O4/c21-18(22)31-15-3-1-2-13(8-15)26-11-17(28)27(20(26)29)12-4-6-14(7-5-12)30-16-9-24-19(23)25-10-16/h1-10,18H,11H2,(H2,23,24,25)
InChIKeyHBVWKPWPTVEBCV-UHFFFAOYSA-N
MW427.37 g/mol
LogP3.43
Rot. Bonds6

About 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione

3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 165166892) has the molecular formula C20H15F2N5O4 and a molecular weight of 427.37 g/mol. Its IUPAC name is 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID165166892
Molecular FormulaC20H15F2N5O4
Molecular Weight427.37 g/mol
Exact Mass427.11
IUPAC Name3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESNc1ncc(Oc2ccc(N3C(=O)CN(c4cccc(OC(F)F)c4)C3=O)cc2)cn1
InChIInChI=1S/C20H15F2N5O4/c21-18(22)31-15-3-1-2-13(8-15)26-11-17(28)27(20(26)29)12-4-6-14(7-5-12)30-16-9-24-19(23)25-10-16/h1-10,18H,11H2,(H2,23,24,25)
InChIKeyHBVWKPWPTVEBCV-UHFFFAOYSA-N
XLogP3.43
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 165166892) is 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione is Nc1ncc(Oc2ccc(N3C(=O)CN(c4cccc(OC(F)F)c4)C3=O)cc2)cn1.
What is the InChIKey of 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is HBVWKPWPTVEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O4/c21-18(22)31-15-3-1-2-13(8-15)26-11-17(28)27(20(26)29)12-4-6-14(7-5-12)30-16-9-24-19(23)25-10-16/h1-10,18H,11H2,(H2,23,24,25).
What are the key properties of 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione?
3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 427.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopyrimidin-5-yl)oxyphenyl]-1-[3-(difluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165166892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).