2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine

C32H30F6N4O4 — CID 122470161

IUPAC2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCOc1nc(OCC(F)(F)F)cc(C2C(c3ccccc3)C(c3cc(OCC(F)(F)F)nc(OCC)n3)C2c2ccccc2)n1
InChIInChI=1S/C32H30F6N4O4/c1-3-43-29-39-21(15-23(41-29)45-17-31(33,34)35)27-25(19-11-7-5-8-12-19)28(26(27)20-13-9-6-10-14-20)22-16-24(46-18-32(36,37)38)42-30(40-22)44-4-2/h5-16,25-28H,3-4,17-18H2,1-2H3
InChIKeyJKIGCISPIHYJJH-UHFFFAOYSA-N
MW648.60 g/mol
LogP7.39
Rot. Bonds12

About 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine

2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 122470161) has the molecular formula C32H30F6N4O4 and a molecular weight of 648.60 g/mol. Its IUPAC name is 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID122470161
Molecular FormulaC32H30F6N4O4
Molecular Weight648.60 g/mol
Exact Mass648.22
IUPAC Name2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCOc1nc(OCC(F)(F)F)cc(C2C(c3ccccc3)C(c3cc(OCC(F)(F)F)nc(OCC)n3)C2c2ccccc2)n1
InChIInChI=1S/C32H30F6N4O4/c1-3-43-29-39-21(15-23(41-29)45-17-31(33,34)35)27-25(19-11-7-5-8-12-19)28(26(27)20-13-9-6-10-14-20)22-16-24(46-18-32(36,37)38)42-30(40-22)44-4-2/h5-16,25-28H,3-4,17-18H2,1-2H3
InChIKeyJKIGCISPIHYJJH-UHFFFAOYSA-N
XLogP7.39
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.60
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 122470161) is 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine is CCOc1nc(OCC(F)(F)F)cc(C2C(c3ccccc3)C(c3cc(OCC(F)(F)F)nc(OCC)n3)C2c2ccccc2)n1.
What is the InChIKey of 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is JKIGCISPIHYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F6N4O4/c1-3-43-29-39-21(15-23(41-29)45-17-31(33,34)35)27-25(19-11-7-5-8-12-19)28(26(27)20-13-9-6-10-14-20)22-16-24(46-18-32(36,37)38)42-30(40-22)44-4-2/h5-16,25-28H,3-4,17-18H2,1-2H3.
What are the key properties of 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine?
2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 648.60 g/mol, XLogP of 7.39, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[3-[2-ethoxy-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 122470161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).